8-[2-(phenylcarbamoyl)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 8-[2-(phenylcarbamoyl)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 8-[2-(phenylcarbamoyl)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-[2-[anilino(oxo)methyl]phenoxy]octyl ester iodide IUPAC Name: 8-[2-(phenylcarbamoyl)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-[2-(phenylcarbamoyl)phenoxy]octyl ester iodide Formula: C28H33IN2O4 MolecularWeight: 588.47709

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2C(=O)NC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC=C2C(=O)NC3=CC=CC=C3.[I-]

InChI

InChI=1S/C28H32N2O4.HI/c1-30-19-13-14-23(22-30)28(32)34-21-12-5-3-2-4-11-20-33-26-18-10-9-17-25(26)27(31)29-24-15-7-6-8-16-24;/h6-10,13-19,22H,2-5,11-12,20-21H2,1H3;1H