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

Systemtic Name: ethyl 6-(dimethylamino)-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-2-carboxylate Openeye Name: ethyl 6-(dimethylamino)-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(dimethylamino)-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-2-carboxylate Traditional Name: 6-(dimethylamino)-4-keto-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinoline-2-carboxylic acid ethyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H27N3O3/c1-4-30-24(29)22-20(15-27-12-11-16-7-5-6-8-17(16)14-27)23(28)19-13-18(26(2)3)9-10-21(19)25-22/h5-10,13H,4,11-12,14-15H2,1-3H3,(H,25,28)/p+1