[1-heptyl-2-(phenylcarbonyloxymethyl)pyridin-1-ium-3-yl]methyl benzoate

Systemtic Name: [1-heptyl-2-(phenylcarbonyloxymethyl)pyridin-1-ium-3-yl]methyl benzoate Openeye Name: [2-(benzoyloxymethyl)-1-heptyl-pyridin-1-ium-3-yl]methyl benzoate CAS Name: benzoic acid [2-(benzoyloxymethyl)-1-heptyl-3-pyridin-1-iumyl]methyl ester IUPAC Name: [2-(benzoyloxymethyl)-1-heptylpyridin-1-ium-3-yl]methyl benzoate Traditional Name: benzoic acid [2-(benzoyloxymethyl)-1-heptyl-pyridin-1-ium-3-yl]methyl ester Formula: C28H32NO4+ MolecularWeight: 446.55798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=CC(=C1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC[N+]1=CC=CC(=C1COC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3

InChI

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