(5S)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5S)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-3-oxo-cyclohexen-1-olate CAS Name: (5S)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5-methyl-3-oxocyclohexen-1-olate Traditional Name: (5S)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-keto-5-methyl-cyclohexen-1-olate Formula: C18H20NO2- MolecularWeight: 282.3569

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(C(=O)C1)C2=NC(CC3=CC=CC=C32)(C)C)[O-]

Isomeric SMILES

C[C@H]1CC(=C(C(=O)C1)C2=NC(CC3=CC=CC=C32)(C)C)[O-]

InChI

InChI=1S/C18H21NO2/c1-11-8-14(20)16(15(21)9-11)17-13-7-5-4-6-12(13)10-18(2,3)19-17/h4-7,11,20H,8-10H2,1-3H3/p-1/t11-/m0/s1