ethyl (3S)-1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(methylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(methylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[5-(methylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C12H21N4O2S2+ MolecularWeight: 317.45074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C(=S)SC(=N2)NC

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O2S2/c1-3-18-10(17)9-5-4-6-15(7-9)8-16-12(19)20-11(13-2)14-16/h9H,3-8H2,1-2H3,(H,13,14)/p+1/t9-/m0/s1