(2-bromanyl-4-fluoranyl-phenyl)-[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl)-[(2S)-1-(diethylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (2-bromo-4-fluoro-phenyl)-[(1S)-2-(diethylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (2-bromo-4-fluorophenyl)-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (2-bromo-4-fluorophenyl)-[(2S)-1-(diethylamino)-1-oxopropan-2-yl]azanium Traditional Name: (2-bromo-4-fluoro-phenyl)-[(1S)-2-(diethylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C13H19BrFN2O+ MolecularWeight: 318.205163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C)[NH2+]C1=C(C=C(C=C1)F)Br

Isomeric SMILES

CCN(CC)C(=O)[C@H](C)[NH2+]C1=C(C=C(C=C1)F)Br

InChI

InChI=1S/C13H18BrFN2O/c1-4-17(5-2)13(18)9(3)16-12-7-6-10(15)8-11(12)14/h6-9,16H,4-5H2,1-3H3/p+1/t9-/m0/s1