[(2S,3S)-2-[2-(trifluoromethyl)phenoxy]pentan-3-yl]azanium

Systemtic Name: [(2S,3S)-2-[2-(trifluoromethyl)phenoxy]pentan-3-yl]azanium Openeye Name: [(1S,2S)-1-ethyl-2-[2-(trifluoromethyl)phenoxy]propyl]ammonium CAS Name: [(2S,3S)-2-[2-(trifluoromethyl)phenoxy]pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-[2-(trifluoromethyl)phenoxy]pentan-3-yl]azanium Traditional Name: [(1S,2S)-1-ethyl-2-[2-(trifluoromethyl)phenoxy]propyl]ammonium Formula: C12H17F3NO+ MolecularWeight: 248.26469

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC1=CC=CC=C1C(F)(F)F)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)OC1=CC=CC=C1C(F)(F)F)[NH3+]

InChI

InChI=1S/C12H16F3NO/c1-3-10(16)8(2)17-11-7-5-4-6-9(11)12(13,14)15/h4-8,10H,3,16H2,1-2H3/p+1/t8-,10-/m0/s1