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

Systemtic Name: 1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: 1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridin-1-iumyl)-4-piperidinecarboxylate IUPAC Name: 1-(5-cyanopyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyanopyridin-1-ium-2-yl)isonipecotate Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2/c13-7-9-1-2-11(14-8-9)15-5-3-10(4-6-15)12(16)17/h1-2,8,10H,3-6H2,(H,16,17)