2-methyl-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-8-carboxylate

Systemtic Name: 2-methyl-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-8-carboxylate Openeye Name: 2-methyl-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-8-carboxylate CAS Name: 2-methyl-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-8-carboxylate IUPAC Name: 2-methyl-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-8-carboxylate Traditional Name: 4-keto-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-8-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(12-23-10-9-14-5-2-3-6-15(14)11-23)20(24)16-7-4-8-17(21(25)26)19(16)22-13/h2-8H,9-12H2,1H3,(H,22,24)(H,25,26)