ethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: ethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium-5-carboxylate iodide Openeye Name: ethyl 1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 1-ethyl-2-methyl-3-octyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-ethyl-2-methyl-3-octylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1-ethyl-2-methyl-3-octyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester iodide Formula: C21H33IN2O2 MolecularWeight: 472.40339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C.[I-]

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=C1C=C(C=C2)C(=O)OCC)CC)C.[I-]

InChI

InChI=1S/C21H33N2O2.HI/c1-5-8-9-10-11-12-15-23-17(4)22(6-2)19-14-13-18(16-20(19)23)21(24)25-7-3;/h13-14,16H,5-12,15H2,1-4H3;1H/q+1;/p-1