[(1S)-2-azaniumyl-1-(3-bromanyl-4-fluoranyl-phenyl)ethyl]-cyclohexyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(3-bromanyl-4-fluoranyl-phenyl)ethyl]-cyclohexyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-bromo-4-fluoro-phenyl)ethyl]-cyclohexyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-bromo-4-fluorophenyl)ethyl]-cyclohexyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-bromo-4-fluorophenyl)ethyl]-cyclohexyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-bromo-4-fluoro-phenyl)ethyl]-cyclohexyl-ethyl-ammonium Formula: C16H26BrFN2+2 MolecularWeight: 345.293443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C1CCCCC1)C(C[NH3+])C2=CC(=C(C=C2)F)Br

Isomeric SMILES

CC[NH+](C1CCCCC1)[C@H](C[NH3+])C2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C16H24BrFN2/c1-2-20(13-6-4-3-5-7-13)16(11-19)12-8-9-15(18)14(17)10-12/h8-10,13,16H,2-7,11,19H2,1H3/p+2/t16-/m1/s1