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

Systemtic Name: ethyl 1-(4-fluorophenyl)-6-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridazine-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 1-(4-fluorophenyl)-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-(4-fluorophenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-1-(4-fluorophenyl)-6-keto-pyridazine-3-carboxylic acid ethyl ester Formula: C24H26FN4O3+ MolecularWeight: 437.486643

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H25FN4O3/c1-2-32-24(31)23-21(16-22(30)29(26-23)20-10-8-19(25)9-11-20)28-14-12-27(13-15-28)17-18-6-4-3-5-7-18/h3-11,16H,2,12-15,17H2,1H3/p+1