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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-bromanyl-4-fluoranyl-phenyl)ethyl]-diethyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-bromo-4-fluoro-phenyl)ethyl]-diethyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-bromo-4-fluorophenyl)ethyl]-diethylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-bromo-4-fluorophenyl)ethyl]-diethylazanium Traditional Name: [(1S)-2-ammonio-1-(3-bromo-4-fluoro-phenyl)ethyl]-diethyl-ammonium Formula: C12H20BrFN2+2 MolecularWeight: 291.203003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrFN2/c1-3-16(4-2)12(8-15)9-5-6-11(14)10(13)7-9/h5-7,12H,3-4,8,15H2,1-2H3/p+2/t12-/m1/s1