(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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![(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b05624fe7655484ea26a01d2b7235586.png "(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide")
(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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CAS No:
63717-09-9
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Formula:
C25H35BrN2O2
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Chemical Name:
(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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Synonyms:
63717-09-9;Quinine, isoamylbromide;Quinine isoamylbromide;Cinchonan-9-ol, 6'-methoxy-, (8-alpha,9R)-, compd. with 1-bromo-3-methylbutane (1:1);Butane, 1-bromo-3-methyl-, compd. with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1);DTXSID00980136;Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, compd with 1-bromo-3-methylbutane (1:1);9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide
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CAS No:
(S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide Basic Attributes
475.5 g/mol
474.18819 g/mol
Computed Properties
Molecular Weight:475.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:474.18819
Monoisotopic Mass:474.18819
Topological Polar Surface Area:42.4
Heavy Atom Count:30
Complexity:567
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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