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

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[4-(methylcarbamoyl)benzyl]ammonium Formula: C16H17BrFN2O+ MolecularWeight: 352.221383

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH2+]CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C16H16BrFN2O/c1-19-16(21)13-5-2-11(3-6-13)9-20-10-12-4-7-15(18)14(17)8-12/h2-8,20H,9-10H2,1H3,(H,19,21)/p+1