[(4S)-4-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(5-bromo-2-fluoro-benzoyl)amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(5-bromo-2-fluorobenzoyl)amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(5-bromo-2-fluoro-benzoyl)amino]pentyl]-diethyl-ammonium Formula: C16H25BrFN2O+ MolecularWeight: 360.284903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)NC(=O)C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C16H24BrFN2O/c1-4-20(5-2)10-6-7-12(3)19-16(21)14-11-13(17)8-9-15(14)18/h8-9,11-12H,4-7,10H2,1-3H3,(H,19,21)/p+1/t12-/m0/s1