[(1S)-2-(1,3-benzoxazol-2-yl)-1-(4-bromanyl-2-fluoranyl-phenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(1,3-benzoxazol-2-yl)-1-(4-bromanyl-2-fluoranyl-phenyl)ethyl]azanium Openeye Name: [(1S)-2-(1,3-benzoxazol-2-yl)-1-(4-bromo-2-fluoro-phenyl)ethyl]ammonium CAS Name: [(1S)-2-(1,3-benzoxazol-2-yl)-1-(4-bromo-2-fluorophenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(1,3-benzoxazol-2-yl)-1-(4-bromo-2-fluorophenyl)ethyl]azanium Traditional Name: [(1S)-2-(1,3-benzoxazol-2-yl)-1-(4-bromo-2-fluoro-phenyl)ethyl]ammonium Formula: C15H13BrFN2O+ MolecularWeight: 336.178923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CC(C3=C(C=C(C=C3)Br)F)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C[C@@H](C3=C(C=C(C=C3)Br)F)[NH3+]

InChI

InChI=1S/C15H12BrFN2O/c16-9-5-6-10(11(17)7-9)12(18)8-15-19-13-3-1-2-4-14(13)20-15/h1-7,12H,8,18H2/p+1/t12-/m0/s1