1-(4-chlorophenyl)-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 1-(4-chlorophenyl)-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(4-chlorophenyl)-6-methyl-pyridazin-4-one CAS Name: 1-(4-chlorophenyl)-6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyridazinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(4-chlorophenyl)-6-methylpyridazin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(4-chlorophenyl)-6-methyl-pyridazin-4-one Formula: C23H24ClN4O2+ MolecularWeight: 423.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O2/c1-17-15-21(29)22(25-28(17)20-9-7-19(24)8-10-20)23(30)27-13-11-26(12-14-27)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/p+1