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

Systemtic Name: 1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-17-8-6-7-11-20(17)21-25-28(23(30)26(21)2)16-27-14-12-18(13-15-27)22(29)24-19-9-4-3-5-10-19/h3-11,18H,12-16H2,1-2H3,(H,24,29)/p+1