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

Systemtic Name: dimethyl 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylate iodide Openeye Name: dimethyl 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylate iodide CAS Name: 1,3-diethyl-2-methylbenzimidazol-3-ium-5,6-dicarboxylic acid dimethyl ester iodide IUPAC Name: dimethyl 1,3-diethyl-2-methylbenzimidazol-3-ium-5,6-dicarboxylate iodide Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-3-ium-5,6-dicarboxylic acid dimethyl ester iodide Formula: C16H21IN2O4 MolecularWeight: 432.25341

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C(=C2)C(=O)OC)C(=O)OC)CC)C.[I-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C(=C2)C(=O)OC)C(=O)OC)CC)C.[I-]

InChI

InChI=1S/C16H21N2O4.HI/c1-6-17-10(3)18(7-2)14-9-12(16(20)22-5)11(8-13(14)17)15(19)21-4;/h8-9H,6-7H2,1-5H3;1H/q+1;/p-1