5-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidene-2-pyridin-3-yl-ethyl)pyridazin-3-one

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxidanylidene-2-pyridin-3-yl-ethyl)pyridazin-3-one Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-[2-oxo-2-(3-pyridyl)ethyl]pyridazin-3-one CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-[2-oxo-2-(3-pyridinyl)ethyl]-3-pyridazinone IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(2-oxo-2-pyridin-3-ylethyl)pyridazin-3-one Traditional Name: 2-[2-keto-2-(3-pyridyl)ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C16H20N5O2+ MolecularWeight: 314.3623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC(=O)C3=CN=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H19N5O2/c1-19-5-7-20(8-6-19)14-9-16(23)21(18-11-14)12-15(22)13-3-2-4-17-10-13/h2-4,9-11H,5-8,12H2,1H3/p+1