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

Systemtic Name: 6-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one Openeye Name: 6-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(p-tolyl)-1,4-dihydropyridazin-3-one CAS Name: 6-[[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one IUPAC Name: 6-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one Traditional Name: 6-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-carbonyl]-2-(p-tolyl)-1,4-dihydropyridazin-3-one Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2/c1-18-5-8-22(9-6-18)29-24(30)11-10-23(26-29)25(31)28-14-12-27(13-15-28)17-21-7-4-19(2)16-20(21)3/h4-10,16,26H,11-15,17H2,1-3H3/p+1