6-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-phenyl-pyridazin-4-one

Systemtic Name: 6-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1-phenyl-pyridazin-4-one Openeye Name: 6-methyl-3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]-1-phenyl-pyridazin-4-one CAS Name: 6-methyl-3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-phenyl-4-pyridazinone IUPAC Name: 6-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1-phenylpyridazin-4-one Traditional Name: 6-methyl-3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]-1-phenyl-pyridazin-4-one Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2/c1-18-8-6-7-9-20(18)17-26-12-14-27(15-13-26)24(30)23-22(29)16-19(2)28(25-23)21-10-4-3-5-11-21/h3-11,16H,12-15,17H2,1-2H3/p+1