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

Systemtic Name: ethyl 6-oxidanylidene-1-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-1-phenyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-1-phenylpyridazine-3-carboxylate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-keto-1-phenyl-pyridazine-3-carboxylic acid ethyl ester Formula: C24H27N4O3+ MolecularWeight: 419.49618

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-2-31-24(30)23-21(17-22(29)28(25-23)20-11-7-4-8-12-20)27-15-13-26(14-16-27)18-19-9-5-3-6-10-19/h3-12,17H,2,13-16,18H2,1H3/p+1