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

Systemtic Name: 6-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one Openeye Name: 6-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(o-tolyl)-1,4-dihydropyridazin-3-one CAS Name: 6-[[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one IUPAC Name: 6-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one Traditional Name: 6-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-carbonyl]-2-(o-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)C[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CCC(=O)N(N3)C4=CC=CC=C4C)C

InChI

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