[(1S)-2-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(5-bromanyl-2-fluoranyl-phenyl)methylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-bromo-2-fluoro-phenyl)methylamino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(5-bromo-2-fluorophenyl)methylamino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-bromo-2-fluorophenyl)methylamino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-bromo-2-fluoro-benzyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H21BrFN2+ MolecularWeight: 352.264443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNCC1=C(C=CC(=C1)Br)F)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNCC1=C(C=CC(=C1)Br)F)C2=CC=CC=C2

InChI

InChI=1S/C17H20BrFN2/c1-21(2)17(13-6-4-3-5-7-13)12-20-11-14-10-15(18)8-9-16(14)19/h3-10,17,20H,11-12H2,1-2H3/p+1/t17-/m1/s1