(5-bromanyl-2-fluoranyl-phenyl)methyl-(2-diethylaminoethyl)azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-(2-diethylaminoethyl)azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-(2-diethylaminoethyl)ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-(2-diethylaminoethyl)ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-(2-diethylaminoethyl)azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-(2-diethylaminoethyl)ammonium Formula: C13H21BrFN2+ MolecularWeight: 304.221643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]CC1=C(C=CC(=C1)Br)F

Isomeric SMILES

CCN(CC)CC[NH2+]CC1=C(C=CC(=C1)Br)F

InChI

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