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

Systemtic Name: 1-ethyl-N4,N5,3-trimethyl-imidazol-3-ium-4,5-dicarboxamide benzoate Openeye Name: 1-ethyl-N4,N5,3-trimethyl-imidazol-3-ium-4,5-dicarboxamide benzoate CAS Name: 1-ethyl-N4,N5,3-trimethylimidazol-3-ium-4,5-dicarboxamide benzoate IUPAC Name: 1-ethyl-4-N,5-N,3-trimethylimidazol-3-ium-4,5-dicarboxamide benzoate Traditional Name: 1-ethyl-N,N',3-trimethyl-imidazol-3-ium-4,5-dicarboxamide benzoate Formula: C17H22N4O4 MolecularWeight: 346.38098

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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)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C10H16N4O2.C7H6O2/c1-5-14-6-13(4)7(9(15)11-2)8(14)10(16)12-3;8-7(9)6-4-2-1-3-5-6/h6H,5H2,1-4H3,(H-,11,12,15,16);1-5H,(H,8,9)