1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylate

Systemtic Name: 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylate Openeye Name: 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylate CAS Name: 1,3-diethyl-2-methylbenzimidazol-3-ium-5,6-dicarboxylate IUPAC Name: 1,3-diethyl-2-methylbenzimidazol-3-ium-5,6-dicarboxylate Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylate Formula: C14H15N2O4- MolecularWeight: 275.2799

Click to see the large picture

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