6-(4-methylphenyl)-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]pyridazin-3-one Openeye Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-3-pyridazinone IUPAC Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-6-(p-tolyl)pyridazin-3-one Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-20-7-9-22(10-8-20)23-11-12-25(31)29(26-23)14-13-24(30)28-17-15-27(16-18-28)19-21-5-3-2-4-6-21/h2-12H,13-19H2,1H3/p+1