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

Systemtic Name: 1-(2-chlorophenyl)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-6-methyl-pyridazin-4-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1-(2-chlorophenyl)-6-methyl-pyridazin-4-one CAS Name: 1-(2-chlorophenyl)-3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-4-pyridazinone IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1-(2-chlorophenyl)-6-methylpyridazin-4-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1-(2-chlorophenyl)-6-methyl-pyridazin-4-one Formula: C29H28ClN4O2+ MolecularWeight: 500.01122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN4O2/c1-21-20-26(35)27(31-34(21)25-15-9-8-14-24(25)30)29(36)33-18-16-32(17-19-33)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,20,28H,16-19H2,1H3/p+1