5-methoxy-2-(2-methylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 5-methoxy-2-(2-methylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-5-methoxy-2-(o-tolyl)pyridazin-3-one CAS Name: 5-methoxy-2-(2-methylphenyl)-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-3-pyridazinone IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-5-methoxy-2-(2-methylphenyl)pyridazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-5-methoxy-2-(o-tolyl)pyridazin-3-one Formula: C24H27N4O3+ MolecularWeight: 419.49618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C=C(C(=N2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C=C(C(=N2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

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