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

Systemtic Name: dimethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-3-ium-5,6-dicarboxylate iodide Openeye Name: dimethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-3-ium-5,6-dicarboxylate iodide CAS Name: 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylic acid dimethyl ester iodide IUPAC Name: dimethyl 1-ethyl-2-methyl-3-octylbenzimidazol-3-ium-5,6-dicarboxylate iodide Traditional Name: 1-ethyl-2-methyl-3-octyl-benzimidazol-3-ium-5,6-dicarboxylic acid dimethyl ester iodide Formula: C22H33IN2O4 MolecularWeight: 516.41289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(N(C2=C1C=C(C(=C2)C(=O)OC)C(=O)OC)CC)C.[I-]

Isomeric SMILES

CCCCCCCC[N+]1=C(N(C2=C1C=C(C(=C2)C(=O)OC)C(=O)OC)CC)C.[I-]

InChI

InChI=1S/C22H33N2O4.HI/c1-6-8-9-10-11-12-13-24-16(3)23(7-2)19-14-17(21(25)27-4)18(15-20(19)24)22(26)28-5;/h14-15H,6-13H2,1-5H3;1H/q+1;/p-1