(S)-[(2S)-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]-ethyl-methyl-[[4-(trifluoromethyl)phenyl]carbonylamino]azanium

Systemtic Name: (S)-[(2S)-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]-ethyl-methyl-[[4-(trifluoromethyl)phenyl]carbonylamino]azanium Openeye Name: (S)-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-ethyl-methyl-[[4-(trifluoromethyl)benzoyl]amino]ammonium CAS Name: (S)-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-ethyl-methyl-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]ammonium IUPAC Name: (S)-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-ethyl-methyl-[[4-(trifluoromethyl)benzoyl]amino]azanium Traditional Name: (S)-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-ethyl-methyl-[[4-(trifluoromethyl)benzoyl]amino]ammonium Formula: C22H23F5N5O2+ MolecularWeight: 484.442336

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC[N@@+](C)(C[C@@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H22F5N5O2/c1-3-32(2,30-20(33)15-4-6-16(7-5-15)22(25,26)27)12-21(34,11-31-14-28-13-29-31)18-9-8-17(23)10-19(18)24/h4-10,13-14,34H,3,11-12H2,1-2H3/p+1/t21-,32-/m0/s1