5,5-dimethyl-3-oxidanylidene-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate Openeye Name: 5,5-dimethyl-3-oxo-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-oxo-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-3-oxo-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3CC[NH2+]2)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@@H]2C3=CC=CC=C3CC[NH2+]2)[O-])C

InChI

InChI=1S/C17H21NO2/c1-17(2)9-13(19)15(14(20)10-17)16-12-6-4-3-5-11(12)7-8-18-16/h3-6,16,18-19H,7-10H2,1-2H3/t16-/m0/s1