Cinchonan-6',9-diol--hydrogen chloride (1/1)
Basic information
- CAS
72436-12-5- Standard SMILES
C=CC1C[NH+]2CCC1CC2C(O)c1ccnc2ccc(O)cc12.[Cl-]- InChIKey
PSXDRNCJTBOUPR-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O2
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.1448057
Names & identifiers
- Preferred name
- Cinchonan-6',9-diol--hydrogen chloride (1/1)
- IUPAC
- 4-[(5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol chloride
Names & synonyms
DTXSID20993248RefChem:1081575DTXCID001420300Cinchonan-6',9-diol--hydrogen chloride (1/1)6'-Hydroxycinchonine hydrochlorideCINCHONINE, 6'-HYDROXY-, HYDROCHLORIDECinchonan-6',9-diol, monohydrochloride, (9S)-2-Quinuclidinemethanol, alpha-(6-hydroxy-4-quinolyl)-5-vinyl-, hydrochloride
Database identifiers
- CAS
72436-12-5- PubChem CID
- 51578
Properties
Computed structural properties
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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