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

Systemtic Name: propyl 2-methyl-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-6-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-3-12-29-24(28)18-8-9-22-20(13-18)23(27)21(16(2)25-22)15-26-11-10-17-6-4-5-7-19(17)14-26/h4-9,13H,3,10-12,14-15H2,1-2H3,(H,25,27)/p+1