(S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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![(S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4f784f0f624a494e83821e6da14aa060.png "(S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide")
(S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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CAS No:
63717-12-4
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Formula:
C23H31BrN2O2
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Chemical Name:
(S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide
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Synonyms:
63717-12-4;Quinine, n-propyl bromide;Quinine propyl bromide;CINCHONAN-9-OL, 6'-METHOXY-, (8-alpha,9R)-, compd. with 1-BROMOPROPANE (1:1);Propane, 1-bromo-, compd. with (8alpha,9R)-6'methoxycinchonan-9-ol (1:1);DTXSID80980139;Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, compd with 1-bromopropane (1:1);9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium bromide
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CAS No:
(S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;bromide Basic Attributes
447.4 g/mol
446.15689 g/mol
Computed Properties
Molecular Weight:447.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:446.15689
Monoisotopic Mass:446.15689
Topological Polar Surface Area:42.4
Heavy Atom Count:28
Complexity:527
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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