4-methyl-5-phenyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-phenyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-phenyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-phenyl-2-[[(3R)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-phenyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-phenyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C16H20F3N4S+ MolecularWeight: 357.41701

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC(C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@H](C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C16H19F3N4S/c1-21-14(12-6-3-2-4-7-12)20-23(15(21)24)11-22-9-5-8-13(10-22)16(17,18)19/h2-4,6-7,13H,5,8-11H2,1H3/p+1/t13-/m1/s1