ethyl 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: ethyl 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide Openeye Name: ethyl 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 1,3-diethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1,3-diethyl-2-methylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1,3-diethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester iodide Formula: C15H21IN2O2 MolecularWeight: 388.24391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N2O2.HI/c1-5-16-11(4)17(6-2)14-10-12(8-9-13(14)16)15(18)19-7-3;/h8-10H,5-7H2,1-4H3;1H/q+1;/p-1