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

Systemtic Name: 3-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(5-bromo-2-fluoro-benzoyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(5-bromo-2-fluorobenzoyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(5-bromo-2-fluoro-benzoyl)amino]propyl]-methyl-ammonium Formula: C18H21BrFN2O+ MolecularWeight: 380.274543

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=C(C=CC(=C1)Br)F)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)C1=C(C=CC(=C1)Br)F)CC2=CC=CC=C2

InChI

InChI=1S/C18H20BrFN2O/c1-22(13-14-6-3-2-4-7-14)11-5-10-21-18(23)16-12-15(19)8-9-17(16)20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23)/p+1