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

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-pentan-2-yl]pyridin-4-one Openeye Name: 1-[(1R)-1-(piperazin-4-ium-1-carbonyl)butyl]pyridin-4-one CAS Name: 1-[(2R)-1-oxo-1-(1-piperazin-4-iumyl)pentan-2-yl]-4-pyridinone IUPAC Name: 1-[(2R)-1-oxo-1-piperazin-4-ium-1-ylpentan-2-yl]pyridin-4-one Traditional Name: 1-[(1R)-1-(piperazin-4-ium-1-carbonyl)butyl]-4-pyridone Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2/c1-2-3-13(16-8-4-12(18)5-9-16)14(19)17-10-6-15-7-11-17/h4-5,8-9,13,15H,2-3,6-7,10-11H2,1H3/p+1/t13-/m1/s1