ethyl 1,3-bis(2-acetyloxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate iodide

Systemtic Name: ethyl 1,3-bis(2-acetyloxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate iodide Openeye Name: ethyl 1,3-bis(2-acetoxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 1,3-bis(2-acetyloxyethyl)-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1,3-bis(2-acetyloxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1,3-bis(2-acetoxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester iodide Formula: C19H25IN2O6 MolecularWeight: 504.31607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N2O6.HI/c1-5-25-19(24)16-6-7-17-18(12-16)21(9-11-27-15(4)23)13(2)20(17)8-10-26-14(3)22;/h6-7,12H,5,8-11H2,1-4H3;1H/q+1;/p-1