(3S,8aS)-3-(hydroxymethyl)-2,8a-dimethyl-4,6,7,8-tetrahydro-3H-isoquinolin-1-one

Systemtic Name: (3S,8aS)-3-(hydroxymethyl)-2,8a-dimethyl-4,6,7,8-tetrahydro-3H-isoquinolin-1-one Openeye Name: (3S,8aS)-3-(hydroxymethyl)-2,8a-dimethyl-4,6,7,8-tetrahydro-3H-isoquinolin-1-one CAS Name: (3S,8aS)-3-(hydroxymethyl)-2,8a-dimethyl-4,6,7,8-tetrahydro-3H-isoquinolin-1-one IUPAC Name: (3S,8aS)-3-(hydroxymethyl)-2,8a-dimethyl-4,6,7,8-tetrahydro-3H-isoquinolin-1-one Traditional Name: (3S,8aS)-2,8a-dimethyl-3-methylol-4,6,7,8-tetrahydro-3H-isoquinolin-1-one Formula: C12H19NO2 MolecularWeight: 209.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC=C1CC(N(C2=O)C)CO

Isomeric SMILES

C[C@]12CCCC=C1C[C@H](N(C2=O)C)CO

InChI

InChI=1S/C12H19NO2/c1-12-6-4-3-5-9(12)7-10(8-14)13(2)11(12)15/h5,10,14H,3-4,6-8H2,1-2H3/t10-,12-/m0/s1