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

HCID 86752322
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Basic information

Standard SMILES
COc1cccc([C@]23CCN(CC4CC4)C[C@@H]2CCC(=O)C3)c1.Cl
InChIKey
PGFUVILLSMSEHM-YFUYRHFLSA-N
Molecular formula
C20H28ClNO2
Average molar mass
349.9 g/mol

Names & identifiers

Preferred name
(+/-)-trans-2-Cyclopropylmethyl-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline hydrochloride
IUPAC
(4aS,8aR)-2-(cyclopropylmethyl)-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one;hydrochloride

Names & synonyms

PGFUVILLSMSEHM-YFUYRHFLSA-N(+/-)-trans-2-Cyclopropylmethyl-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline hydrochloride

Database identifiers

PubChem CID
86752322

Properties

Computed structural properties

Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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