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

Systemtic Name: ethyl (3R)-1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C19H26N4O2S/c1-3-14-7-9-15(10-8-14)17-20-19(26)23(21-17)13-22-11-5-6-16(12-22)18(24)25-4-2/h7-10,16H,3-6,11-13H2,1-2H3,(H,20,21,26)/p+1/t16-/m1/s1