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

Systemtic Name: 4-phenyl-5-piperidin-1-yl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-phenyl-5-(1-piperidyl)-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-phenyl-5-(1-piperidinyl)-2-[[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-phenyl-5-piperidin-1-yl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-5-piperidino-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H27F3N5S+ MolecularWeight: 426.52209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCCC(C4)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=NN(C(=S)N2C3=CC=CC=C3)C[NH+]4CCC[C@@H](C4)C(F)(F)F

InChI

InChI=1S/C20H26F3N5S/c21-20(22,23)16-8-7-11-25(14-16)15-27-19(29)28(17-9-3-1-4-10-17)18(24-27)26-12-5-2-6-13-26/h1,3-4,9-10,16H,2,5-8,11-15H2/p+1/t16-/m0/s1