ethyl 1-ethyl-3-[4-(ethylsulfamoyl)butyl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[4-(ethylsulfamoyl)butyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[4-(ethylsulfamoyl)butyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[4-(ethylsulfamoyl)butyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[4-(ethylsulfamoyl)butyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[4-(ethylsulfamoyl)butyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)CCCCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C

Isomeric SMILES

CCNS(=O)(=O)CCCCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C

InChI

InChI=1S/C19H30N3O4S/c1-5-20-27(24,25)13-9-8-12-22-15(4)21(6-2)17-11-10-16(14-18(17)22)19(23)26-7-3/h10-11,14,20H,5-9,12-13H2,1-4H3/q+1