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

Systemtic Name: 8-(4-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-(4-benzyloxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(4-phenylmethoxyphenoxy)octyl ester iodide IUPAC Name: 8-(4-phenylmethoxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(4-benzoxyphenoxy)octyl ester iodide Formula: C28H34INO4 MolecularWeight: 575.47833

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C28H34NO4.HI/c1-29-19-11-14-25(22-29)28(30)32-21-10-5-3-2-4-9-20-31-26-15-17-27(18-16-26)33-23-24-12-7-6-8-13-24;/h6-8,11-19,22H,2-5,9-10,20-21,23H2,1H3;1H/q+1;/p-1