Basic information
- CAS
63717-09-9- Standard SMILES
C=CC1C[N+]2(CCC(C)C)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.[Br-]- InChIKey
KQNVLZYYDYGQMY-LBCIAOCBSA-M- Molecular formula
- C25H35BrN2O2
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 474.18819
Names & identifiers
- Preferred name
- 9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide
- IUPAC
- (S)-[(2R)-5-ethenyl-1-(3-methylbutyl)-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide
Names & synonyms
63717-09-9DTXSID009801369-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromideRefChem:1074995DTXCID801407415Quinine, isoamylbromideQuinine isoamylbromideCinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, compd with 1-bromo-3-methylbutane (1:1)(1xi,3xi,9S)-9-Hydroxy-6'-methoxy-1-(3-methylbutyl)cinchonan-1-ium bromide
Database identifiers
- CAS
63717-09-9- PubChem CID
- 44634
- DTXSID
DTXSID00980136
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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