[(1S)-1-[2-(2,5-dimethylphenoxy)-6-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(2,5-dimethylphenoxy)-6-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(2,5-dimethylphenoxy)-6-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(2,5-dimethylphenoxy)-6-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-(2,5-dimethylphenoxy)-6-fluoro-phenyl]ethyl]ammonium Formula: C16H19FNO+ MolecularWeight: 260.326563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=C(C(=CC=C2)F)C(C)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=C(C(=CC=C2)F)[C@H](C)[NH3+]

InChI

InChI=1S/C16H18FNO/c1-10-7-8-11(2)15(9-10)19-14-6-4-5-13(17)16(14)12(3)18/h4-9,12H,18H2,1-3H3/p+1/t12-/m0/s1