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

Systemtic Name: ethyl 1-ethyl-3-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate iodide Openeye Name: ethyl 1-ethyl-3-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylate iodide CAS Name: 1-ethyl-3-(2-hydroxyethyl)-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-ethyl-3-(2-hydroxyethyl)-2-methylbenzimidazol-1-ium-5-carboxylate iodide Traditional Name: 1-ethyl-3-(2-hydroxyethyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester iodide Formula: C15H21IN2O3 MolecularWeight: 404.24331

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCO)C.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCO)C.[I-]

InChI

InChI=1S/C15H21N2O3.HI/c1-4-16-11(3)17(8-9-18)14-10-12(6-7-13(14)16)15(19)20-5-2;/h6-7,10,18H,4-5,8-9H2,1-3H3;1H/q+1;/p-1