ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(2-methylphenyl)-6-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1N2CC[NH+](CC2)CC3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C25H28N4O3/c1-3-32-25(31)24-22(17-23(30)29(26-24)21-12-8-7-9-19(21)2)28-15-13-27(14-16-28)18-20-10-5-4-6-11-20/h4-12,17H,3,13-16,18H2,1-2H3/p+1