[(2S)-2-(5-bromanyl-2-fluoranyl-phenyl)-2-(diethylamino)ethyl]azanium

Systemtic Name: [(2S)-2-(5-bromanyl-2-fluoranyl-phenyl)-2-(diethylamino)ethyl]azanium Openeye Name: [(2S)-2-(5-bromo-2-fluoro-phenyl)-2-(diethylamino)ethyl]ammonium CAS Name: [(2S)-2-(5-bromo-2-fluorophenyl)-2-(diethylamino)ethyl]ammonium IUPAC Name: [(2S)-2-(5-bromo-2-fluorophenyl)-2-(diethylamino)ethyl]azanium Traditional Name: [(2S)-2-(5-bromo-2-fluoro-phenyl)-2-(diethylamino)ethyl]ammonium Formula: C12H19BrFN2+ MolecularWeight: 290.195063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrFN2/c1-3-16(4-2)12(8-15)10-7-9(13)5-6-11(10)14/h5-7,12H,3-4,8,15H2,1-2H3/p+1/t12-/m1/s1