(S)-[(2R)-5-ethenyl-1-hexyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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![(S)-[(2R)-5-ethenyl-1-hexyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8541634c19b042979a77fba47ee3047e.png "(S)-[(2R)-5-ethenyl-1-hexyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide")
(S)-[(2R)-5-ethenyl-1-hexyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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CAS No:
63717-08-8
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Formula:
C26H37BrN2O2
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Chemical Name:
(S)-[(2R)-5-ethenyl-1-hexyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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Synonyms:
Quinine, hexylbromide;63717-08-8;Quinine hexylbromide;Hexane, 1-bromo-, compd with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1);Hexane, 1-bromo-, compd. with (8-alpha,9R)-6'methoxycinchonan-9-ol (1:1);CINCHONAN-9-OL, 6'-METHOXY-, (8-alpha,9R)-, compd. with 1-BROMOHEXANE (1:1);DTXSID40980135;Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, compd with 1-bromohexane (1:1);1-Hexyl-9-hydroxy-6'-methoxycinchonan-1-ium bromide
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CAS No:
(S)-[(2R)-5-ethenyl-1-hexyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide Basic Attributes
489.5 g/mol
488.20384 g/mol
Computed Properties
Molecular Weight:489.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:488.20384
Monoisotopic Mass:488.20384
Topological Polar Surface Area:42.4
Heavy Atom Count:31
Complexity:569
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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