benzenesulfonate; 1-ethyl-N4,N5,3-trimethyl-imidazol-3-ium-4,5-dicarboxamide

Systemtic Name: benzenesulfonate; 1-ethyl-N4,N5,3-trimethyl-imidazol-3-ium-4,5-dicarboxamide Openeye Name: benzenesulfonate; 1-ethyl-N4,N5,3-trimethyl-imidazol-3-ium-4,5-dicarboxamide CAS Name: benzenesulfonate; 1-ethyl-N4,N5,3-trimethylimidazol-3-ium-4,5-dicarboxamide IUPAC Name: benzenesulfonate; 1-ethyl-4-N,5-N,3-trimethylimidazol-3-ium-4,5-dicarboxamide Traditional Name: 1-ethyl-N,N',3-trimethyl-imidazol-3-ium-4,5-dicarboxamide besylate Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C(=C1C(=O)NC)C(=O)NC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN1C=[N+](C(=C1C(=O)NC)C(=O)NC)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H16N4O2.C6H6O3S/c1-5-14-6-13(4)7(9(15)11-2)8(14)10(16)12-3;7-10(8,9)6-4-2-1-3-5-6/h6H,5H2,1-4H3,(H-,11,12,15,16);1-5H,(H,7,8,9)