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

Systemtic Name: 5-nitro-1-(3-oxidanylidene-3-piperazin-4-ium-1-yl-propyl)pyridin-2-one Openeye Name: 5-nitro-1-(3-oxo-3-piperazin-4-ium-1-yl-propyl)pyridin-2-one CAS Name: 5-nitro-1-[3-oxo-3-(1-piperazin-4-iumyl)propyl]-2-pyridinone IUPAC Name: 5-nitro-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-nitro-2-pyridone Formula: C12H17N4O4+ MolecularWeight: 281.28778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4/c17-11-2-1-10(16(19)20)9-15(11)6-3-12(18)14-7-4-13-5-8-14/h1-2,9,13H,3-8H2/p+1