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

Systemtic Name: [(1S)-2-azaniumyl-1-(5-bromanyl-2-fluoranyl-phenyl)ethyl]-butyl-ethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(5-bromo-2-fluoro-phenyl)ethyl]-butyl-ethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(5-bromo-2-fluorophenyl)ethyl]-butyl-ethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(5-bromo-2-fluorophenyl)ethyl]-butyl-ethylazanium Traditional Name: [(1S)-2-ammonio-1-(5-bromo-2-fluoro-phenyl)ethyl]-butyl-ethyl-ammonium Formula: C14H24BrFN2+2 MolecularWeight: 319.256163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrFN2/c1-3-5-8-18(4-2)14(10-17)12-9-11(15)6-7-13(12)16/h6-7,9,14H,3-5,8,10,17H2,1-2H3/p+2/t14-/m1/s1