N-(5-methylpyridin-2-yl)-2-(6-oxidanylidene-4-piperazin-4-ium-1-yl-pyridazin-1-yl)ethanamide

Systemtic Name: N-(5-methylpyridin-2-yl)-2-(6-oxidanylidene-4-piperazin-4-ium-1-yl-pyridazin-1-yl)ethanamide Openeye Name: N-(5-methyl-2-pyridyl)-2-(6-oxo-4-piperazin-4-ium-1-yl-pyridazin-1-yl)acetamide CAS Name: N-(5-methyl-2-pyridinyl)-2-[6-oxo-4-(1-piperazin-4-iumyl)-1-pyridazinyl]acetamide IUPAC Name: N-(5-methylpyridin-2-yl)-2-(6-oxo-4-piperazin-4-ium-1-ylpyridazin-1-yl)acetamide Traditional Name: 2-(6-keto-4-piperazin-4-ium-1-yl-pyridazin-1-yl)-N-(5-methyl-2-pyridyl)acetamide Formula: C16H21N6O2+ MolecularWeight: 329.37694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3

InChI

InChI=1S/C16H20N6O2/c1-12-2-3-14(18-9-12)20-15(23)11-22-16(24)8-13(10-19-22)21-6-4-17-5-7-21/h2-3,8-10,17H,4-7,11H2,1H3,(H,18,20,23)/p+1