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

Systemtic Name: methyl 1-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(3-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-(m-tolyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCC(CC3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-17-7-6-10-20(15-17)27-21(18-8-4-3-5-9-18)24-26(23(27)30)16-25-13-11-19(12-14-25)22(28)29-2/h3-10,15,19H,11-14,16H2,1-2H3/p+1