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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-bromanyl-4-fluoranyl-phenyl)ethyl]-butyl-methyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-bromo-4-fluoro-phenyl)ethyl]-butyl-methyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-bromo-4-fluorophenyl)ethyl]-butyl-methylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-bromo-4-fluorophenyl)ethyl]-butyl-methylazanium Traditional Name: [(1S)-2-ammonio-1-(3-bromo-4-fluoro-phenyl)ethyl]-butyl-methyl-ammonium Formula: C13H22BrFN2+2 MolecularWeight: 305.229583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrFN2/c1-3-4-7-17(2)13(9-16)10-5-6-12(15)11(14)8-10/h5-6,8,13H,3-4,7,9,16H2,1-2H3/p+2/t13-/m1/s1