ethyl 5-cyano-1-[[(3R)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-1-[[(3R)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-1-[[(3R)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-[[(3R)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-[[(3R)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 1-[[(3R)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-5-cyano-2-methyl-6-thioxo-nicotinic acid ethyl ester Formula: C19H26N3O4S+ MolecularWeight: 392.49244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=C(C=C(C2=S)C#N)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CN2C(=C(C=C(C2=S)C#N)C(=O)OCC)C

InChI

InChI=1S/C19H25N3O4S/c1-4-25-18(23)14-7-6-8-21(11-14)12-22-13(3)16(19(24)26-5-2)9-15(10-20)17(22)27/h9,14H,4-8,11-12H2,1-3H3/p+1/t14-/m1/s1