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

Systemtic Name: 3-oxidanylidene-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate Openeye Name: 3-oxo-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate CAS Name: 3-oxo-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-cyclohexenolate IUPAC Name: 3-oxo-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate Traditional Name: 3-keto-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]cyclohexen-1-olate Formula: C15H17NO2 MolecularWeight: 243.30098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)C1)C2C3=CC=CC=C3CC[NH2+]2)[O-]

Isomeric SMILES

C1CC(=C(C(=O)C1)[C@@H]2C3=CC=CC=C3CC[NH2+]2)[O-]

InChI

InChI=1S/C15H17NO2/c17-12-6-3-7-13(18)14(12)15-11-5-2-1-4-10(11)8-9-16-15/h1-2,4-5,15-17H,3,6-9H2/t15-/m0/s1