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

Systemtic Name: 1-(2-fluorophenyl)-6-methyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one CAS Name: 1-(2-fluorophenyl)-6-methyl-3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-pyridazinone IUPAC Name: 1-(2-fluorophenyl)-6-methyl-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]pyridazin-4-one Traditional Name: 1-(2-fluorophenyl)-6-methyl-3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one Formula: C24H26FN4O2+ MolecularWeight: 421.487243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4F

InChI

InChI=1S/C24H25FN4O2/c1-17-6-5-7-19(14-17)16-27-10-12-28(13-11-27)24(31)23-22(30)15-18(2)29(26-23)21-9-4-3-8-20(21)25/h3-9,14-15H,10-13,16H2,1-2H3/p+1