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

Systemtic Name: [(3S,4S)-3-(2-fluoranylphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(2-fluorophenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(2-fluorophenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2-fluorophenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2-fluorophenoxy)-1-propyl-butyl]ammonium Formula: C13H21FNO+ MolecularWeight: 226.310343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC=CC=C1F)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OC1=CC=CC=C1F)[NH3+]

InChI

InChI=1S/C13H20FNO/c1-3-7-11(15)12(4-2)16-13-9-6-5-8-10(13)14/h5-6,8-9,11-12H,3-4,7,15H2,1-2H3/p+1/t11-,12-/m0/s1