ethyl 5-cyano-2-phenyl-6-piperidin-1-yl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-6-piperidin-1-yl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-(1-piperidyl)pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(1-piperidinyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-piperidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-2-phenyl-6-piperidino-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2/c1-2-25-20(24)17-13-16(14-21)19(23-11-7-4-8-12-23)22-18(17)15-9-5-3-6-10-15/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3/p+1