Basic information
- CAS
63717-07-7- Standard SMILES
C=CC1C[N+]2(CC)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.[Cl-]- InChIKey
NLVVRLKFCOJPRR-NYHCBIMJSA-M- Molecular formula
- C22H29ClN2O2
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.1917559
Names & identifiers
- Preferred name
- Quinine, ethochloride
- IUPAC
- (S)-[(2R)-5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride
Names & synonyms
Quinine, ethochloride63717-07-7RefChem:1097800DTXSID809801341-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride(1xi,3xi,9S)-1-Ethyl-9-hydroxy-6'-methoxycinchonan-1-ium chloride
Database identifiers
- CAS
63717-07-7- PubChem CID
- 44630
- DTXSID
DTXSID80980134
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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