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

Systemtic Name: 5-nitro-1-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-butan-2-yl]pyridin-2-one Openeye Name: 5-nitro-1-[(1R)-1-(piperazin-4-ium-1-carbonyl)propyl]pyridin-2-one CAS Name: 5-nitro-1-[(2R)-1-oxo-1-(1-piperazin-4-iumyl)butan-2-yl]-2-pyridinone IUPAC Name: 5-nitro-1-[(2R)-1-oxo-1-piperazin-4-ium-1-ylbutan-2-yl]pyridin-2-one Traditional Name: 5-nitro-1-[(1R)-1-(piperazin-4-ium-1-carbonyl)propyl]-2-pyridone Formula: C13H19N4O4+ MolecularWeight: 295.31436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[NH2+]CC1)N2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C(=O)N1CC[NH2+]CC1)N2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4/c1-2-11(13(19)15-7-5-14-6-8-15)16-9-10(17(20)21)3-4-12(16)18/h3-4,9,11,14H,2,5-8H2,1H3/p+1/t11-/m1/s1