2-(4-methylmorpholin-4-ium-4-yl)ethyl 3-methyl-1-benzofuran-2-carboxylate iodide

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 3-methyl-1-benzofuran-2-carboxylate iodide Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 3-methylbenzofuran-2-carboxylate iodide CAS Name: 3-methyl-2-benzofurancarboxylic acid 2-(4-methyl-4-morpholin-4-iumyl)ethyl ester iodide IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 3-methyl-1-benzofuran-2-carboxylate iodide Traditional Name: 3-methylcoumarilic acid 2-(4-methylmorpholin-4-ium-4-yl)ethyl ester iodide Formula: C17H22INO4 MolecularWeight: 431.26535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC[N+]3(CCOCC3)C.[I-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC[N+]3(CCOCC3)C.[I-]

InChI

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