ethyl 1-ethyl-2-methyl-3-(4-sulfamoylbutyl)benzimidazol-1-ium-5-carboxylate bromide

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(4-sulfamoylbutyl)benzimidazol-1-ium-5-carboxylate bromide Openeye Name: ethyl 1-ethyl-2-methyl-3-(4-sulfamoylbutyl)benzimidazol-1-ium-5-carboxylate bromide CAS Name: 1-ethyl-2-methyl-3-(4-sulfamoylbutyl)-5-benzimidazol-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-ethyl-2-methyl-3-(4-sulfamoylbutyl)benzimidazol-1-ium-5-carboxylate bromide Traditional Name: 1-ethyl-2-methyl-3-(4-sulfamoylbutyl)benzimidazol-1-ium-5-carboxylic acid ethyl ester bromide Formula: C17H26BrN3O4S MolecularWeight: 448.37504

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCCCS(=O)(=O)N)C.[Br-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCCCS(=O)(=O)N)C.[Br-]

InChI

InChI=1S/C17H26N3O4S.BrH/c1-4-19-13(3)20(10-6-7-11-25(18,22)23)16-12-14(8-9-15(16)19)17(21)24-5-2;/h8-9,12H,4-7,10-11H2,1-3H3,(H2,18,22,23);1H/q+1;/p-1