(5-bromanyl-2-fluoranyl-phenyl)methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C13H14BrFNS+ MolecularWeight: 315.224363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH2+]CC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C13H13BrFNS/c1-9(13-3-2-6-17-13)16-8-10-7-11(14)4-5-12(10)15/h2-7,9,16H,8H2,1H3/p+1/t9-/m0/s1