[(1S)-1-[2-fluoranyl-6-(4-propan-2-ylphenyl)sulfanyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-fluoranyl-6-(4-propan-2-ylphenyl)sulfanyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-fluoro-6-(4-isopropylphenyl)sulfanyl-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-fluoro-6-[(4-propan-2-ylphenyl)thio]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-fluoro-6-(4-propan-2-ylphenyl)sulfanylphenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-fluoro-6-(p-cumenylthio)phenyl]ethyl]ammonium Formula: C17H21FNS+ MolecularWeight: 290.418743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=CC=CC(=C2C(C)[NH3+])F

Isomeric SMILES

C[C@@H](C1=C(C=CC=C1SC2=CC=C(C=C2)C(C)C)F)[NH3+]

InChI

InChI=1S/C17H20FNS/c1-11(2)13-7-9-14(10-8-13)20-16-6-4-5-15(18)17(16)12(3)19/h4-12H,19H2,1-3H3/p+1/t12-/m0/s1