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

Systemtic Name: 3-methyl-1-(4-oxidanylidene-4-piperazin-4-ium-1-yl-butyl)pyridin-2-one Openeye Name: 3-methyl-1-(4-oxo-4-piperazin-4-ium-1-yl-butyl)pyridin-2-one CAS Name: 3-methyl-1-[4-oxo-4-(1-piperazin-4-iumyl)butyl]-2-pyridinone IUPAC Name: 3-methyl-1-(4-oxo-4-piperazin-4-ium-1-ylbutyl)pyridin-2-one Traditional Name: 1-(4-keto-4-piperazin-4-ium-1-yl-butyl)-3-methyl-2-pyridone Formula: C14H22N3O2+ MolecularWeight: 264.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN(C1=O)CCCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CN(C1=O)CCCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H21N3O2/c1-12-4-2-8-17(14(12)19)9-3-5-13(18)16-10-6-15-7-11-16/h2,4,8,15H,3,5-7,9-11H2,1H3/p+1