benzenesulfonate; 1,3-diethyl-N4,N5-dimethyl-imidazol-1-ium-4,5-dicarboxamide

Systemtic Name: benzenesulfonate; 1,3-diethyl-N4,N5-dimethyl-imidazol-1-ium-4,5-dicarboxamide Openeye Name: benzenesulfonate; 1,3-diethyl-N4,N5-dimethyl-imidazol-1-ium-4,5-dicarboxamide CAS Name: benzenesulfonate; 1,3-diethyl-N4,N5-dimethylimidazol-1-ium-4,5-dicarboxamide IUPAC Name: benzenesulfonate; 1,3-diethyl-4-N,5-N-dimethylimidazol-1-ium-4,5-dicarboxamide Traditional Name: 1,3-diethyl-N,N'-dimethyl-imidazol-1-ium-4,5-dicarboxamide besylate Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O2.C6H6O3S/c1-5-14-7-15(6-2)9(11(17)13-4)8(14)10(16)12-3;7-10(8,9)6-4-2-1-3-5-6/h7H,5-6H2,1-4H3,(H-,12,13,16,17);1-5H,(H,7,8,9)