[(1S)-1-[4-(2,3-dimethylphenoxy)-3-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(2,3-dimethylphenoxy)-3-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(2,3-dimethylphenoxy)-3-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-(2,3-dimethylphenoxy)-3-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(2,3-dimethylphenoxy)-3-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(2,3-dimethylphenoxy)-3-fluoro-phenyl]ethyl]ammonium Formula: C16H19FNO+ MolecularWeight: 260.326563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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