2-(1-ethylpiperidin-1-ium-1-yl)ethyl 5-methyl-1-benzofuran-2-carboxylate iodide

Systemtic Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 5-methyl-1-benzofuran-2-carboxylate iodide Openeye Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 5-methylbenzofuran-2-carboxylate iodide CAS Name: 5-methyl-2-benzofurancarboxylic acid 2-(1-ethyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 5-methyl-1-benzofuran-2-carboxylate iodide Traditional Name: 5-methylcoumarilic acid 2-(1-ethylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C19H26INO3 MolecularWeight: 443.31911

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CCOC(=O)C2=CC3=C(O2)C=CC(=C3)C.[I-]

Isomeric SMILES

CC[N+]1(CCCCC1)CCOC(=O)C2=CC3=C(O2)C=CC(=C3)C.[I-]

InChI

InChI=1S/C19H26NO3.HI/c1-3-20(9-5-4-6-10-20)11-12-22-19(21)18-14-16-13-15(2)7-8-17(16)23-18;/h7-8,13-14H,3-6,9-12H2,1-2H3;1H/q+1;/p-1