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

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-methyl-1-benzofuran-2-carboxylate iodide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-methylbenzofuran-2-carboxylate iodide CAS Name: 3-methyl-2-benzofurancarboxylic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 3-methyl-1-benzofuran-2-carboxylate iodide Traditional Name: 3-methylcoumarilic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C18H24INO3 MolecularWeight: 429.29253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC[N+]3(CCCCC3)C.[I-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC[N+]3(CCCCC3)C.[I-]

InChI

InChI=1S/C18H24NO3.HI/c1-14-15-8-4-5-9-16(15)22-17(14)18(20)21-13-12-19(2)10-6-3-7-11-19;/h4-5,8-9H,3,6-7,10-13H2,1-2H3;1H/q+1;/p-1