(2-bromanyl-5-fluoranyl-phenyl)methyl-[3-[methyl(phenyl)amino]propyl]azanium

Systemtic Name: (2-bromanyl-5-fluoranyl-phenyl)methyl-[3-[methyl(phenyl)amino]propyl]azanium Openeye Name: (2-bromo-5-fluoro-phenyl)methyl-[3-(N-methylanilino)propyl]ammonium CAS Name: (2-bromo-5-fluorophenyl)methyl-[3-(N-methylanilino)propyl]ammonium IUPAC Name: (2-bromo-5-fluorophenyl)methyl-[3-(N-methylanilino)propyl]azanium Traditional Name: (2-bromo-5-fluoro-benzyl)-[3-(N-methylanilino)propyl]ammonium Formula: C17H21BrFN2+ MolecularWeight: 352.264443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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