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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)benzimidazol-1-ium-5-carboxylate bromide Openeye Name: ethyl 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)benzimidazol-1-ium-5-carboxylate bromide CAS Name: 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)-5-benzimidazol-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)benzimidazol-1-ium-5-carboxylate bromide Traditional Name: 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)benzimidazol-1-ium-5-carboxylic acid ethyl ester bromide Formula: C16H24BrN3O4S MolecularWeight: 434.34846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N3O4S.BrH/c1-4-18-12(3)19(9-6-10-24(17,21)22)15-11-13(7-8-14(15)18)16(20)23-5-2;/h7-8,11H,4-6,9-10H2,1-3H3,(H2,17,21,22);1H/q+1;/p-1