[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(3-fluorophenyl)methyl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(3-fluorophenyl)methyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(3-fluorophenyl)methyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(3-fluorophenyl)methyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(3-fluorophenyl)methyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(3-fluorobenzyl)ammonium Formula: C16H18BrFNO+ MolecularWeight: 339.222623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC(=CC=C2)F

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H17BrFNO/c1-2-15(14-9-12(17)6-7-16(14)20)19-10-11-4-3-5-13(18)8-11/h3-9,15,19-20H,2,10H2,1H3/p+1/t15-/m0/s1