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

Systemtic Name: 5-nitro-1-(5-oxidanylidene-5-piperazin-4-ium-1-yl-pentyl)pyridin-2-one Openeye Name: 5-nitro-1-(5-oxo-5-piperazin-4-ium-1-yl-pentyl)pyridin-2-one CAS Name: 5-nitro-1-[5-oxo-5-(1-piperazin-4-iumyl)pentyl]-2-pyridinone IUPAC Name: 5-nitro-1-(5-oxo-5-piperazin-4-ium-1-ylpentyl)pyridin-2-one Traditional Name: 1-(5-keto-5-piperazin-4-ium-1-yl-pentyl)-5-nitro-2-pyridone Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCCCN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCCCN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4/c19-13(16-9-6-15-7-10-16)3-1-2-8-17-11-12(18(21)22)4-5-14(17)20/h4-5,11,15H,1-3,6-10H2/p+1