ethyl 1-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)isonipecotic acid ethyl ester Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=CC(=[NH+]2)C)C)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=CC(=[NH+]2)C)C)C#N

InChI

InChI=1S/C16H21N3O2/c1-4-21-16(20)13-5-7-19(8-6-13)15-14(10-17)11(2)9-12(3)18-15/h9,13H,4-8H2,1-3H3/p+1