2-(4-chlorophenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,4-dihydropyridazin-3-one

Systemtic Name: 2-(4-chlorophenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,4-dihydropyridazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one CAS Name: 2-(4-chlorophenyl)-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1,4-dihydropyridazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-chlorophenyl)-1,4-dihydropyridazin-3-one Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CCC(=O)N(N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CCC(=O)N(N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O2/c23-18-6-8-19(9-7-18)27-21(28)11-10-20(24-27)22(29)26-14-12-25(13-15-26)16-17-4-2-1-3-5-17/h1-10,24H,11-16H2/p+1