2-(2-methylphenyl)-6-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-1,4-dihydropyridazin-3-one

Systemtic Name: 2-(2-methylphenyl)-6-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-1,4-dihydropyridazin-3-one Openeye Name: 2-(o-tolyl)-6-(4-phenethylpiperazin-4-ium-1-carbonyl)-1,4-dihydropyridazin-3-one CAS Name: 2-(2-methylphenyl)-6-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-1,4-dihydropyridazin-3-one IUPAC Name: 2-(2-methylphenyl)-6-(4-phenethylpiperazin-4-ium-1-carbonyl)-1,4-dihydropyridazin-3-one Traditional Name: 2-(o-tolyl)-6-(4-phenethylpiperazin-4-ium-1-carbonyl)-1,4-dihydropyridazin-3-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-19-7-5-6-10-22(19)28-23(29)12-11-21(25-28)24(30)27-17-15-26(16-18-27)14-13-20-8-3-2-4-9-20/h2-11,25H,12-18H2,1H3/p+1