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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-6-methyl-1-phenyl-pyridazin-4-one Openeye Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-methyl-1-phenyl-pyridazin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-phenyl-4-pyridazinone IUPAC Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one Traditional Name: 3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-6-methyl-1-phenyl-pyridazin-4-one Formula: C29H29N4O2+ MolecularWeight: 465.56616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2/c1-22-21-26(34)27(30-33(22)25-15-9-4-10-16-25)29(35)32-19-17-31(18-20-32)28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,21,28H,17-20H2,1H3/p+1