8-(3-methoxycarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 8-(3-methoxycarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-(3-methoxycarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(3-methoxycarbonylphenoxy)octyl ester iodide IUPAC Name: 8-(3-methoxycarbonylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(3-carbomethoxyphenoxy)octyl ester iodide Formula: C23H30INO5 MolecularWeight: 527.39247

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC(=C2)C(=O)OC.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC(=C2)C(=O)OC.[I-]

InChI

InChI=1S/C23H30NO5.HI/c1-24-14-10-12-20(18-24)23(26)29-16-8-6-4-3-5-7-15-28-21-13-9-11-19(17-21)22(25)27-2;/h9-14,17-18H,3-8,15-16H2,1-2H3;1H/q+1;/p-1