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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCCN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCCN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O4/c18-12(15-8-5-14-6-9-15)2-1-7-16-10-11(17(20)21)3-4-13(16)19/h3-4,10,14H,1-2,5-9H2/p+1