2-(2-oxidanylidenebutyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-(2-oxidanylidenebutyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-(2-oxobutyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-(2-oxobutyl)-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-(2-oxobutyl)-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-(2-ketobutyl)-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C12H19N4O2+ MolecularWeight: 251.30486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1C(=O)C=C(C=N1)N2CC[NH2+]CC2

Isomeric SMILES

CCC(=O)CN1C(=O)C=C(C=N1)N2CC[NH2+]CC2

InChI

InChI=1S/C12H18N4O2/c1-2-11(17)9-16-12(18)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3/p+1