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

Systemtic Name: [(1S)-2-azaniumyl-1-(5-bromanyl-2-fluoranyl-phenyl)ethyl]-dibutyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-bromo-2-fluoro-phenyl)ethyl]-dibutyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-bromo-2-fluorophenyl)ethyl]-dibutylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-bromo-2-fluorophenyl)ethyl]-dibutylazanium Traditional Name: [(1S)-2-ammonio-1-(5-bromo-2-fluoro-phenyl)ethyl]-dibutyl-ammonium Formula: C16H28BrFN2+2 MolecularWeight: 347.309323

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)C(C[NH3+])C1=C(C=CC(=C1)Br)F

Isomeric SMILES

CCCC[NH+](CCCC)[C@H](C[NH3+])C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C16H26BrFN2/c1-3-5-9-20(10-6-4-2)16(12-19)14-11-13(17)7-8-15(14)18/h7-8,11,16H,3-6,9-10,12,19H2,1-2H3/p+2/t16-/m1/s1