3-[[2-[(2-chloranylpyridin-3-yl)carbonylamino]phenyl]carbonylamino]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[[2-[(2-chloranylpyridin-3-yl)carbonylamino]phenyl]carbonylamino]propyl-dimethyl-azanium chloride Openeye Name: 3-[[2-[(2-chloropyridine-3-carbonyl)amino]benzoyl]amino]propyl-dimethyl-ammonium chloride CAS Name: 3-[[[2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]propyl-dimethylammonium chloride IUPAC Name: 3-[[2-[(2-chloropyridine-3-carbonyl)amino]benzoyl]amino]propyl-dimethylazanium chloride Traditional Name: 3-[[2-[(2-chloronicotinoyl)amino]benzoyl]amino]propyl-dimethyl-ammonium chloride Formula: C18H22Cl2N4O2 MolecularWeight: 397.29888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2.ClH/c1-23(2)12-6-11-21-17(24)13-7-3-4-9-15(13)22-18(25)14-8-5-10-20-16(14)19;/h3-5,7-10H,6,11-12H2,1-2H3,(H,21,24)(H,22,25);1H