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

Systemtic Name: ethyl 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-2-methyl-3-(3-sulfamoylpropyl)benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C16H24N3O4S+ MolecularWeight: 354.44446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N3O4S/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)/q+1