[(1S)-1-[4-(4-bromanyl-2-fluoranyl-phenoxy)-3-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(4-bromanyl-2-fluoranyl-phenoxy)-3-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(4-bromo-2-fluoro-phenoxy)-3-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(4-bromo-2-fluoro-phenoxy)-3-fluoro-phenyl]ethyl]ammonium Formula: C14H13BrF2NO+ MolecularWeight: 329.159926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrF2NO/c1-8(18)9-2-4-13(11(16)6-9)19-14-5-3-10(15)7-12(14)17/h2-8H,18H2,1H3/p+1/t8-/m0/s1