8-[4-(phenylcarbonyl)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 8-[4-(phenylcarbonyl)phenoxy]octyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 8-(4-benzoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 8-(4-benzoylphenoxy)octyl ester IUPAC Name: 8-(4-benzoylphenoxy)octyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 8-(4-benzoylphenoxy)octyl ester Formula: C28H32NO4+ MolecularWeight: 446.55798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32NO4/c1-29-19-11-14-25(22-29)28(31)33-21-10-5-3-2-4-9-20-32-26-17-15-24(16-18-26)27(30)23-12-7-6-8-13-23/h6-8,11-19,22H,2-5,9-10,20-21H2,1H3/q+1