(5-bromanyl-2-fluoranyl-phenyl)methyl-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-[(1S)-1-[(2R)-2-oxolanyl]ethyl]ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]ammonium Formula: C13H18BrFNO+ MolecularWeight: 303.190523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCO1)[NH2+]CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C[C@@H]([C@H]1CCCO1)[NH2+]CC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C13H17BrFNO/c1-9(13-3-2-6-17-13)16-8-10-7-11(14)4-5-12(10)15/h4-5,7,9,13,16H,2-3,6,8H2,1H3/p+1/t9-,13+/m0/s1