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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CC=C(N2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

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