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

Systemtic Name: 5-cyclopropyl-4-phenyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-phenyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-phenyl-2-[[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-phenyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-phenyl-2-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C18H22F3N4S+ MolecularWeight: 383.45429

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C(=S)N(C(=N2)C3CC3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C18H21F3N4S/c19-18(20,21)14-5-4-10-23(11-14)12-24-17(26)25(15-6-2-1-3-7-15)16(22-24)13-8-9-13/h1-3,6-7,13-14H,4-5,8-12H2/p+1/t14-/m0/s1