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

Systemtic Name: diethyl 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylate Openeye Name: diethyl 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylate CAS Name: 1,3-diethyl-2-methylbenzimidazol-3-ium-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1,3-diethyl-2-methylbenzimidazol-3-ium-5,6-dicarboxylate Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylic acid diethyl ester Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N2O4/c1-6-19-12(5)20(7-2)16-11-14(18(22)24-9-4)13(10-15(16)19)17(21)23-8-3/h10-11H,6-9H2,1-5H3/q+1