ethanol; ethyl 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate; iodide

Systemtic Name: ethanol; ethyl 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate; iodide Openeye Name: ethanol; ethyl 3-(2-acetoxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate; iodide CAS Name: 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester; ethanol; iodide IUPAC Name: ethanol; ethyl 3-(2-acetyloxyethyl)-1-(2-hydroxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate; iodide Traditional Name: 3-(2-acetoxyethyl)-1-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester; ethanol; iodide Formula: C19H29IN2O6 MolecularWeight: 508.34783

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)C1=CC2=C(C=C1)[N+](=C(N2CCOC(=O)C)C)CCO.[I-]

Isomeric SMILES

CCO.CCOC(=O)C1=CC2=C(C=C1)[N+](=C(N2CCOC(=O)C)C)CCO.[I-]

InChI

InChI=1S/C17H23N2O5.C2H6O.HI/c1-4-23-17(22)14-5-6-15-16(11-14)19(8-10-24-13(3)21)12(2)18(15)7-9-20;1-2-3;/h5-6,11,20H,4,7-10H2,1-3H3;3H,2H2,1H3;1H/q+1;;/p-1