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

Systemtic Name: ethyl 1,3-bis(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate iodide Openeye Name: ethyl 1,3-bis(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 1,3-bis(2-hydroxyethyl)-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1,3-bis(2-hydroxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1,3-bis(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester iodide Formula: C15H21IN2O4 MolecularWeight: 420.24271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[N+](=C(N2CCO)C)CCO.[I-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[N+](=C(N2CCO)C)CCO.[I-]

InChI

InChI=1S/C15H21N2O4.HI/c1-3-21-15(20)12-4-5-13-14(10-12)17(7-9-19)11(2)16(13)6-8-18;/h4-5,10,18-19H,3,6-9H2,1-2H3;1H/q+1;/p-1