1-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]pyridin-4-one

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]pyridin-4-one Openeye Name: 1-[(1R)-1-(piperazin-4-ium-1-carbonyl)propyl]pyridin-4-one CAS Name: 1-[(2R)-1-oxo-1-(1-piperazin-4-iumyl)butan-2-yl]-4-pyridinone IUPAC Name: 1-[(2R)-1-oxo-1-piperazin-4-ium-1-ylbutan-2-yl]pyridin-4-one Traditional Name: 1-[(1R)-1-(piperazin-4-ium-1-carbonyl)propyl]-4-pyridone Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH2+]CC1)N2C=CC(=O)C=C2

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH2+]CC1)N2C=CC(=O)C=C2

InChI

InChI=1S/C13H19N3O2/c1-2-12(15-7-3-11(17)4-8-15)13(18)16-9-5-14-6-10-16/h3-4,7-8,12,14H,2,5-6,9-10H2,1H3/p+1/t12-/m1/s1