methyl 2-methyl-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylate

Systemtic Name: methyl 2-methyl-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylate Openeye Name: methyl 2-methyl-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylate CAS Name: 2-methyl-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylic acid methyl ester Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)OC)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O3/c1-14-19(13-24-10-9-15-5-3-4-6-17(15)12-24)21(25)18-11-16(22(26)27-2)7-8-20(18)23-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,23,25)/p+1