AB09399
200132-54-3 | 4-((1R)-((1-(Anthracen-9-yl)but-3-en-2-yl)oxy)((2s)-5-vinylquinuclidin-2-yl)methyl)quinolin-1-ium bromide
Manufacturer: A2B Chem
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CatalogNumber
AB09399
ChemicalName
4-((1R)-((1-(Anthracen-9-yl)but-3-en-2-yl)oxy)((2s)-5-vinylquinuclidin-2-yl)methyl)quinolin-1-ium bromide
CasNumber
200132-54-3
MolecularFormula
C37H37BrN2O
MolecularWeight
605.6065
MdlNumber
MFCD01632446
Smiles
C=CC(Cc1c2ccccc2cc2c1cccc2)O[C@H](c1cc[nH+]c2c1cccc2)[C@@H]1CC2CCN1CC2C=C.[Br-]
Complexity
865
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
4
HeavyAtomCount
41
HydrogenBondAcceptorCount
3
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB09399
ChemicalName: 4-((1R)-((1-(Anthracen-9-yl)but-3-en-2-yl)oxy)((2s)-5-vinylquinuclidin-2-yl)methyl)quinolin-1-ium bromide
CasNumber: 200132-54-3
MolecularFormula: C37H37BrN2O
MolecularWeight: 605.6065
MdlNumber: MFCD01632446
Smiles: C=CC(Cc1c2ccccc2cc2c1cccc2)O[C@H](c1cc[nH+]c2c1cccc2)[C@@H]1CC2CCN1CC2C=C.[Br-]
Complexity: 865
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 3
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB09399
ChemicalName:
4-((1R)-((1-(Anthracen-9-yl)but-3-en-2-yl)oxy)((2s)-5-vinylquinuclidin-2-yl)methyl)quinolin-1-ium bromide
CasNumber:
200132-54-3
MolecularFormula:
C37H37BrN2O
MolecularWeight:
605.6065
MdlNumber:
MFCD01632446
Smiles:
C=CC(Cc1c2ccccc2cc2c1cccc2)O[C@H](c1cc[nH+]c2c1cccc2)[C@@H]1CC2CCN1CC2C=C.[Br-]
Complexity:
865
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
3
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: O=C(N[C@@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
O=C(N[C@@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C(N[C@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
O=C(N[C@H](C(=O)Oc1c(F)c(F)c(c(c1F)F)F)CCCNC=NNS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(O2)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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Smiles: Cc1ccc2c(c1)c1c(C)coc1cc2C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1ccc2c(c1)c1c(C)coc1cc2C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__