8-(2-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 8-(2-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-(2-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(2-methoxyphenoxy)octyl ester iodide IUPAC Name: 8-(2-methoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(2-methoxyphenoxy)octyl ester iodide Formula: C22H30INO4 MolecularWeight: 499.38237

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2OC.[I-]

InChI

InChI=1S/C22H30NO4.HI/c1-23-15-11-12-19(18-23)22(24)27-17-10-6-4-3-5-9-16-26-21-14-8-7-13-20(21)25-2;/h7-8,11-15,18H,3-6,9-10,16-17H2,1-2H3;1H/q+1;/p-1