[6-methyl-5-(phenylcarbonyloxy)-4-(phenylcarbonyloxymethyl)pyridin-1-ium-3-yl]methyl benzoate chloride

Systemtic Name: [6-methyl-5-(phenylcarbonyloxy)-4-(phenylcarbonyloxymethyl)pyridin-1-ium-3-yl]methyl benzoate chloride Openeye Name: [5-benzoyloxy-4-(benzoyloxymethyl)-6-methyl-pyridin-1-ium-3-yl]methyl benzoate chloride CAS Name: benzoic acid [5-benzoyloxy-4-(benzoyloxymethyl)-6-methyl-3-pyridin-1-iumyl]methyl ester chloride IUPAC Name: [5-benzoyloxy-4-(benzoyloxymethyl)-6-methylpyridin-1-ium-3-yl]methyl benzoate chloride Traditional Name: benzoic acid [5-benzoyloxy-4-(benzoyloxymethyl)-6-methyl-pyridin-1-ium-3-yl]methyl ester chloride Formula: C29H24ClNO6 MolecularWeight: 517.95696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=[NH+]C=C(C(=C1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C29H23NO6.ClH/c1-20-26(36-29(33)23-15-9-4-10-16-23)25(19-35-28(32)22-13-7-3-8-14-22)24(17-30-20)18-34-27(31)21-11-5-2-6-12-21;/h2-17H,18-19H2,1H3;1H