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

Systemtic Name: methyl 1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CN2C(=S)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O2S/c1-22-15(21)13-7-9-19(10-8-13)11-20-16(23)17-14(18-20)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,17,18,23)/p+1