8-(4-ethanoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 8-(4-ethanoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-(4-acetylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(4-acetylphenoxy)octyl ester iodide IUPAC Name: 8-(4-acetylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(4-acetylphenoxy)octyl ester iodide Formula: C23H30INO4 MolecularWeight: 511.39307

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCCCCCCOC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCCCCCCOC(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C23H30NO4.HI/c1-19(25)20-11-13-22(14-12-20)27-16-7-5-3-4-6-8-17-28-23(26)21-10-9-15-24(2)18-21;/h9-15,18H,3-8,16-17H2,1-2H3;1H/q+1;/p-1