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

Systemtic Name: methyl 1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H23N4O2S2+ MolecularWeight: 367.50942

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C16H22N4O2S2/c1-3-19-14(13-5-4-10-24-13)17-20(16(19)23)11-18-8-6-12(7-9-18)15(21)22-2/h4-5,10,12H,3,6-9,11H2,1-2H3/p+1