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

Systemtic Name: ethyl 2-methyl-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C23H24N2O3/c1-3-28-23(27)17-8-9-21-19(12-17)22(26)20(15(2)24-21)14-25-11-10-16-6-4-5-7-18(16)13-25/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,24,26)/p+1