1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-oxo-pyridazin-3-olate CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-6-oxo-3-pyridazinolate IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-oxopyridazin-3-olate Traditional Name: 6-keto-1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyridazin-3-olate Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C=CC(=N3)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C=CC(=N3)[O-]

InChI

InChI=1S/C16H20N4O3/c1-23-14-4-2-13(3-5-14)19-10-8-18(9-11-19)12-20-16(22)7-6-15(21)17-20/h2-7H,8-12H2,1H3,(H,17,21)