[(1S)-2-azaniumyl-1-(5-bromanyl-2-fluoranyl-phenyl)ethyl]-cyclohexyl-ethyl-azanium

Systemtic Name: [(1S)-2-azaniumyl-1-(5-bromanyl-2-fluoranyl-phenyl)ethyl]-cyclohexyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-bromo-2-fluoro-phenyl)ethyl]-cyclohexyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-bromo-2-fluorophenyl)ethyl]-cyclohexyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-bromo-2-fluorophenyl)ethyl]-cyclohexyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(5-bromo-2-fluoro-phenyl)ethyl]-cyclohexyl-ethyl-ammonium Formula: C16H26BrFN2+2 MolecularWeight: 345.293443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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