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

Systemtic Name: 1-[[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-methyl-5-thioxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-methyl-5-sulfanylidene-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[4-methyl-5-thioxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C17H21F3N5OS+ MolecularWeight: 400.44175

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H20F3N5OS/c1-23-15(17(18,19)20)22-25(16(23)27)11-24-9-7-12(8-10-24)14(26)21-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,21,26)/p+1