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

Systemtic Name: 8-(2-ethanoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-(2-acetylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(2-acetylphenoxy)octyl ester iodide IUPAC Name: 8-(2-acetylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(2-acetylphenoxy)octyl ester iodide Formula: C23H30INO4 MolecularWeight: 511.39307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCCCCCCCCOC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1OCCCCCCCCOC(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C23H30NO4.HI/c1-19(25)21-13-7-8-14-22(21)27-16-9-5-3-4-6-10-17-28-23(26)20-12-11-15-24(2)18-20;/h7-8,11-15,18H,3-6,9-10,16-17H2,1-2H3;1H/q+1;/p-1