1-(5-nitropyridin-1-ium-2-yl)-N-(3-oxidanylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-N-(3-oxidanylpropyl)piperidine-4-carboxamide Openeye Name: N-(3-hydroxypropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-(3-hydroxypropyl)-1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-(3-hydroxypropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-hydroxypropyl)-1-(5-nitropyridin-1-ium-2-yl)isonipecotamide Formula: C14H21N4O4+ MolecularWeight: 309.34094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCO)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCCCO)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4/c19-9-1-6-15-14(20)11-4-7-17(8-5-11)13-3-2-12(10-16-13)18(21)22/h2-3,10-11,19H,1,4-9H2,(H,15,20)/p+1