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

Systemtic Name: 2-(3-methylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,4-dihydropyridazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(m-tolyl)-1,4-dihydropyridazin-3-one CAS Name: 2-(3-methylphenyl)-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1,4-dihydropyridazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(3-methylphenyl)-1,4-dihydropyridazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(m-tolyl)-1,4-dihydropyridazin-3-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-18-6-5-9-20(16-18)27-22(28)11-10-21(24-27)23(29)26-14-12-25(13-15-26)17-19-7-3-2-4-8-19/h2-10,16,24H,11-15,17H2,1H3/p+1