(4-bromophenyl)methyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl]-methylazanium Traditional Name: (4-bromobenzyl)-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-ammonium Formula: C20H26BrN4O2S+ MolecularWeight: 466.41504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H25BrN4O2S/c1-3-4-11-25-19-10-9-17(28(22,26)27)12-18(19)23-20(25)14-24(2)13-15-5-7-16(21)8-6-15/h5-10,12H,3-4,11,13-14H2,1-2H3,(H2,22,26,27)/p+1