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

Systemtic Name: ethyl (3R)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C12H21N4O2S+ MolecularWeight: 285.38574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O2S/c1-3-18-11(17)10-5-4-6-15(7-10)9-16-12(19)14(2)8-13-16/h8,10H,3-7,9H2,1-2H3/p+1/t10-/m1/s1