ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1-methyl-2-oxidanylidene-quinolin-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1-methyl-2-oxo-4-quinolyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylate CAS Name: 1-(1-methyl-2-oxo-4-quinolinyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-keto-1-methyl-4-quinolyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C26H30N6O3+2 MolecularWeight: 474.5548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H28N6O3/c1-3-35-26(34)20-17-28-32(22-16-25(33)29(2)21-9-5-4-8-19(21)22)23(20)18-30-12-14-31(15-13-30)24-10-6-7-11-27-24/h4-11,16-17H,3,12-15,18H2,1-2H3/p+2