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

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

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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=C4)C

Isomeric SMILES

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

InChI

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