1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylic acid

Systemtic Name: 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylic acid Openeye Name: 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylic acid CAS Name: 1,3-diethyl-2-methylbenzimidazol-3-ium-5,6-dicarboxylic acid IUPAC Name: 1,3-diethyl-2-methylbenzimidazol-3-ium-5,6-dicarboxylic acid Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylic acid Formula: C14H17N2O4+ MolecularWeight: 277.29578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C(=C2)C(=O)O)C(=O)O)CC)C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C(=C2)C(=O)O)C(=O)O)CC)C

InChI

InChI=1S/C14H16N2O4/c1-4-15-8(3)16(5-2)12-7-10(14(19)20)9(13(17)18)6-11(12)15/h6-7H,4-5H2,1-3H3,(H-,17,18,19,20)/p+1