9-Hydroxy-6'-methoxy-1-pentylcinchonan-1-ium chloride
Basic information
- CAS
63717-05-5- Standard SMILES
C=CC1C[N+]2(CCCCC)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.[Cl-]- InChIKey
RILGWRDUQRNRJM-LBCIAOCBSA-M- Molecular formula
- C25H35ClN2O2
- Average molar mass
- 431 g/mol
- Monoisotopic mass
- 430.2387061
Names & identifiers
- Preferred name
- 9-Hydroxy-6'-methoxy-1-pentylcinchonan-1-ium chloride
- IUPAC
- (S)-[(2R)-5-ethenyl-1-pentyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride
Names & synonyms
63717-05-5DTXSID609801329-Hydroxy-6'-methoxy-1-pentylcinchonan-1-ium chlorideRefChem:1074997DTXCID001407411Quinine, n-amylchlorideQuinine amylchloride(1xi,3xi,9S)-9-Hydroxy-6'-methoxy-1-pentylcinchonan-1-ium chloride
Database identifiers
- CAS
63717-05-5- PubChem CID
- 44626
- DTXSID
DTXSID60980132
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 555
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Compound notes
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