Basic information
- CAS
63717-11-3- Standard SMILES
C=CC1C[N+]2(C)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.[Cl-]- InChIKey
JDGBARYFQADTHZ-KCWPWBDNSA-M- Molecular formula
- C21H27ClN2O2
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 374.1761058
Names & identifiers
- Preferred name
- 9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride
- IUPAC
- (S)-[(2R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride
Names & synonyms
63717-11-3DTXSID209801389-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chlorideRefChem:1074996DTXCID201407417Quinine, methochlorideQuinine methochloride(1xi,3xi,9S)-9-Hydroxy-6'-methoxy-1-methylcinchonan-1-ium chloride
Database identifiers
- CAS
63717-11-3- PubChem CID
- 44638
- DTXSID
DTXSID20980138
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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