7-methoxy-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate

Systemtic Name: 7-methoxy-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate Openeye Name: 7-methoxy-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate CAS Name: 7-methoxy-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate IUPAC Name: 7-methoxy-1-methyl-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate Traditional Name: 2-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CC(=O)C3=C(NC4=CC=CC=C43)C)[O-])OC

Isomeric SMILES

CC1C2=CC(=C(C=C2CC[NH+]1CC(=O)C3=C(NC4=CC=CC=C43)C)[O-])OC

InChI

InChI=1S/C22H24N2O3/c1-13-22(16-6-4-5-7-18(16)23-13)20(26)12-24-9-8-15-10-19(25)21(27-3)11-17(15)14(24)2/h4-7,10-11,14,23,25H,8-9,12H2,1-3H3