(+/-)-trans-4a-(3-Methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8, 8a-decahydroisoquinoline hydrochloride

HCID 86752321

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

Related reactions

3 records

Linked notes

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