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

Systemtic Name: methyl 1-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H22N4O2S/c1-13-5-3-4-6-15(13)20-11-18-21(17(20)24)12-19-9-7-14(8-10-19)16(22)23-2/h3-6,11,14H,7-10,12H2,1-2H3/p+1