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

Systemtic Name: ethyl 1-(4-cyanopyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4-cyanopyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(4-cyano-2-pyridin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-cyanopyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(4-cyanopyridin-1-ium-2-yl)isonipecotic acid ethyl ester Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C=CC(=C2)C#N

InChI

InChI=1S/C14H17N3O2/c1-2-19-14(18)12-4-7-17(8-5-12)13-9-11(10-15)3-6-16-13/h3,6,9,12H,2,4-5,7-8H2,1H3/p+1