Basic information
- Standard SMILES
COc1cccc([C@]23CCNC[C@@H]2CCC(=O)C3)c1.Cl- InChIKey
AWVBCXVPCIWSFE-MELYUZJYSA-N- Molecular formula
- C16H22ClNO2
- Average molar mass
- 295.8 g/mol
Names & identifiers
- Preferred name
- (+/-)-trans-4a-(3-Methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8, 8a-decahydroisoquinoline hydrochloride
- IUPAC
- (4aS,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,7,8,8a-octahydroisoquinolin-6-one;hydrochloride
Names & synonyms
AWVBCXVPCIWSFE-MELYUZJYSA-N(+/-)-trans-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8, 8a-decahydroisoquinoline hydrochloride(+/-)-trans-4a-(3-Methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline hydrochloride
Database identifiers
- PubChem CID
- 86752321
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
3 records
Linked notes
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