ethyl (3R)-1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H21N4O2S2+ MolecularWeight: 353.48284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C15H20N4O2S2/c1-2-21-14(20)11-5-3-7-18(9-11)10-19-15(22)16-13(17-19)12-6-4-8-23-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,17,22)/p+1/t11-/m1/s1