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

Systemtic Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C19H22NO2- MolecularWeight: 296.38348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2=NC(CC3=CC=CC=C32)(C)C)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C2=NC(CC3=CC=CC=C32)(C)C)[O-])C

InChI

InChI=1S/C19H23NO2/c1-18(2)10-14(21)16(15(22)11-18)17-13-8-6-5-7-12(13)9-19(3,4)20-17/h5-8,21H,9-11H2,1-4H3/p-1