2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[(5-bromo-2-fluoro-benzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5-bromo-2-fluorobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(5-bromo-2-fluoro-benzoyl)amino]ethyl-diethyl-ammonium Formula: C13H19BrFN2O+ MolecularWeight: 318.205163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrFN2O/c1-3-17(4-2)8-7-16-13(18)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)/p+1