8-[3-(phenylcarbonyloxy)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-[3-(phenylcarbonyloxy)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(3-benzoyloxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(3-benzoyloxyphenoxy)octyl ester IUPAC Name: 8-(3-benzoyloxyphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(3-benzoyloxyphenoxy)octyl ester Formula: C28H32NO5+ MolecularWeight: 462.55738

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC(=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OCCCCCCCCOC2=CC=CC(=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H32NO5/c1-29-18-12-15-24(22-29)27(30)33-20-10-5-3-2-4-9-19-32-25-16-11-17-26(21-25)34-28(31)23-13-7-6-8-14-23/h6-8,11-18,21-22H,2-5,9-10,19-20H2,1H3/q+1