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

Systemtic Name: 3-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(5-bromo-2-fluoro-benzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5-bromo-2-fluorobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-bromo-2-fluoro-benzoyl)amino]propyl-dimethyl-ammonium Formula: C12H17BrFN2O+ MolecularWeight: 304.178583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrFN2O/c1-16(2)7-3-6-15-12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,3,6-7H2,1-2H3,(H,15,17)/p+1