3-[[2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]phenyl]carbonylamino]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[[2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]phenyl]carbonylamino]propyl-dimethyl-azanium chloride Openeye Name: 3-[[2-[(3-bromo-4-methoxy-benzoyl)amino]benzoyl]amino]propyl-dimethyl-ammonium chloride CAS Name: 3-[[[2-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]propyl-dimethylammonium chloride IUPAC Name: 3-[[2-[(3-bromo-4-methoxybenzoyl)amino]benzoyl]amino]propyl-dimethylazanium chloride Traditional Name: 3-[[2-[(3-bromo-4-methoxy-benzoyl)amino]benzoyl]amino]propyl-dimethyl-ammonium chloride Formula: C20H25BrClN3O3 MolecularWeight: 470.7878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)Br.[Cl-]

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)Br.[Cl-]

InChI

InChI=1S/C20H24BrN3O3.ClH/c1-24(2)12-6-11-22-20(26)15-7-4-5-8-17(15)23-19(25)14-9-10-18(27-3)16(21)13-14;/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,26)(H,23,25);1H