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

Systemtic Name: ethyl (3R)-1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H25N4O2S2+ MolecularWeight: 381.536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC(C2)C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C17H24N4O2S2/c1-3-20-15(14-8-6-10-25-14)18-21(17(20)24)12-19-9-5-7-13(11-19)16(22)23-4-2/h6,8,10,13H,3-5,7,9,11-12H2,1-2H3/p+1/t13-/m1/s1