2-(2,5-dimethylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4,5-dihydropyridazin-3-one

Systemtic Name: 2-(2,5-dimethylphenyl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4,5-dihydropyridazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one CAS Name: 2-(2,5-dimethylphenyl)-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4,5-dihydropyridazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2,5-dimethylphenyl)-4,5-dihydropyridazin-3-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2/c1-18-8-9-19(2)22(16-18)28-23(29)11-10-21(25-28)24(30)27-14-12-26(13-15-27)17-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3/p+1