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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)COC(=O)C2=C(C3=CC=CC=C3O2)C.[I-]

Isomeric SMILES

CC[N+]1(CCCCC1)COC(=O)C2=C(C3=CC=CC=C3O2)C.[I-]

InChI

InChI=1S/C18H24NO3.HI/c1-3-19(11-7-4-8-12-19)13-21-18(20)17-14(2)15-9-5-6-10-16(15)22-17;/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3;1H/q+1;/p-1