(3-bromanyl-4-fluoranyl-phenyl)methyl-[3-[methyl(phenyl)amino]propyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[3-[methyl(phenyl)amino]propyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[3-(N-methylanilino)propyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[3-(N-methylanilino)propyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[3-(N-methylanilino)propyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[3-(N-methylanilino)propyl]ammonium Formula: C17H21BrFN2+ MolecularWeight: 352.264443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH2+]CC1=CC(=C(C=C1)F)Br)C2=CC=CC=C2

Isomeric SMILES

CN(CCC[NH2+]CC1=CC(=C(C=C1)F)Br)C2=CC=CC=C2

InChI

InChI=1S/C17H20BrFN2/c1-21(15-6-3-2-4-7-15)11-5-10-20-13-14-8-9-17(19)16(18)12-14/h2-4,6-9,12,20H,5,10-11,13H2,1H3/p+1