(2-chloranyl-6-fluoranyl-phenyl)methyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[[5-(dimethylsulfamoyl)-1-propyl-2-benzimidazolyl]methyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[[5-(dimethylsulfamoyl)-1-propylbenzimidazol-2-yl]methyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[[5-(dimethylsulfamoyl)-1-propyl-benzimidazol-2-yl]methyl]-methyl-ammonium Formula: C21H27ClFN4O2S+ MolecularWeight: 453.981083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+](C)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1C[NH+](C)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H26ClFN4O2S/c1-5-11-27-20-10-9-15(30(28,29)25(2)3)12-19(20)24-21(27)14-26(4)13-16-17(22)7-6-8-18(16)23/h6-10,12H,5,11,13-14H2,1-4H3/p+1