2-(4-methylmorpholin-4-ium-4-yl)ethyl 5-methyl-1-benzofuran-2-carboxylate iodide

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 5-methyl-1-benzofuran-2-carboxylate iodide Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 5-methylbenzofuran-2-carboxylate iodide CAS Name: 5-methyl-2-benzofurancarboxylic acid 2-(4-methyl-4-morpholin-4-iumyl)ethyl ester iodide IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 5-methyl-1-benzofuran-2-carboxylate iodide Traditional Name: 5-methylcoumarilic acid 2-(4-methylmorpholin-4-ium-4-yl)ethyl ester iodide Formula: C17H22INO4 MolecularWeight: 431.26535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2)C(=O)OCC[N+]3(CCOCC3)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2)C(=O)OCC[N+]3(CCOCC3)C.[I-]

InChI

InChI=1S/C17H22NO4.HI/c1-13-3-4-15-14(11-13)12-16(22-15)17(19)21-10-7-18(2)5-8-20-9-6-18;/h3-4,11-12H,5-10H2,1-2H3;1H/q+1;/p-1