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

Systemtic Name: 2-methyl-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-13-18(12-23-9-8-14-4-2-3-5-16(14)11-23)20(24)17-10-15(21(25)26)6-7-19(17)22-13/h2-7,10H,8-9,11-12H2,1H3,(H,22,24)(H,25,26)