6-(4-methylphenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]pyridazin-3-one Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]pyridazin-3-one Traditional Name: 2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2/c1-14-3-5-15(6-4-14)16-7-8-17(23)22(19-16)13-18(24)21-11-9-20(2)10-12-21/h3-8H,9-13H2,1-2H3/p+1