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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]azanium Openeye Name: (4-bromo-2-fluoro-phenyl)-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]ammonium CAS Name: (4-bromo-2-fluorophenyl)-[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]ammonium IUPAC Name: (4-bromo-2-fluorophenyl)-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azanium Traditional Name: (4-bromo-2-fluoro-phenyl)-[(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl]ammonium Formula: C13H17BrFN2O+ MolecularWeight: 316.189283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH2+]C2=C(C=C(C=C2)Br)F

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)[NH2+]C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C13H16BrFN2O/c1-9(13(18)17-6-2-3-7-17)16-12-5-4-10(14)8-11(12)15/h4-5,8-9,16H,2-3,6-7H2,1H3/p+1/t9-/m0/s1