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

Systemtic Name: [(1S)-2-azaniumyl-1-(3-bromanyl-4-fluoranyl-phenyl)ethyl]-dipropyl-azanium Openeye Name: [(1S)-2-azaniumyl-1-(3-bromo-4-fluoro-phenyl)ethyl]-dipropyl-ammonium CAS Name: [(1S)-2-ammonio-1-(3-bromo-4-fluorophenyl)ethyl]-dipropylammonium IUPAC Name: [(1S)-2-azaniumyl-1-(3-bromo-4-fluorophenyl)ethyl]-dipropylazanium Traditional Name: [(1S)-2-ammonio-1-(3-bromo-4-fluoro-phenyl)ethyl]-dipropyl-ammonium Formula: C14H24BrFN2+2 MolecularWeight: 319.256163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrFN2/c1-3-7-18(8-4-2)14(10-17)11-5-6-13(16)12(15)9-11/h5-6,9,14H,3-4,7-8,10,17H2,1-2H3/p+2/t14-/m1/s1