5-methyl-1-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)pyridin-2-one

Systemtic Name: 5-methyl-1-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)pyridin-2-one Openeye Name: 5-methyl-1-(3-oxo-3-piperazin-4-ium-1-yl-propyl)pyridin-2-one CAS Name: 5-methyl-1-[3-oxo-3-(1-piperazin-4-iumyl)propyl]-2-pyridinone IUPAC Name: 5-methyl-1-(3-oxo-3-piperazin-4-ium-1-ylpropyl)pyridin-2-one Traditional Name: 1-(3-keto-3-piperazin-4-ium-1-yl-propyl)-5-methyl-2-pyridone Formula: C13H20N3O2+ MolecularWeight: 250.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C=C1)CCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CN(C(=O)C=C1)CCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C13H19N3O2/c1-11-2-3-12(17)16(10-11)7-4-13(18)15-8-5-14-6-9-15/h2-3,10,14H,4-9H2,1H3/p+1