(3R)-N-(2-hydroxyethyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-(2-hydroxyethyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-N-(2-hydroxyethyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3R)-N-(2-hydroxyethyl)-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3R)-N-(2-hydroxyethyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-N-(2-hydroxyethyl)-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C13H19N4O4+ MolecularWeight: 295.31436

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCO

Isomeric SMILES

C1C[C@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCCO

InChI

InChI=1S/C13H18N4O4/c18-7-5-14-13(19)10-2-1-6-16(9-10)12-4-3-11(8-15-12)17(20)21/h3-4,8,10,18H,1-2,5-7,9H2,(H,14,19)/p+1/t10-/m1/s1