[(3S,4S)-3-[2-(trifluoromethyl)phenoxy]heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-[2-(trifluoromethyl)phenoxy]heptan-4-yl]azanium Openeye Name: [(1S,2S)-1-propyl-2-[2-(trifluoromethyl)phenoxy]butyl]ammonium CAS Name: [(3S,4S)-3-[2-(trifluoromethyl)phenoxy]heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-[2-(trifluoromethyl)phenoxy]heptan-4-yl]azanium Traditional Name: [(1S,2S)-1-propyl-2-[2-(trifluoromethyl)phenoxy]butyl]ammonium Formula: C14H21F3NO+ MolecularWeight: 276.31785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20F3NO/c1-3-7-11(18)12(4-2)19-13-9-6-5-8-10(13)14(15,16)17/h5-6,8-9,11-12H,3-4,7,18H2,1-2H3/p+1/t11-,12-/m0/s1