1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxylate

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxylate IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)isonipecotate Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O4/c15-11(16)8-3-5-13(6-4-8)10-2-1-9(7-12-10)14(17)18/h1-2,7-8H,3-6H2,(H,15,16)