[2-(phenylcarbonyloxymethyl)-1-(phenylmethyl)pyridin-1-ium-4-yl]methyl benzoate

Systemtic Name: [2-(phenylcarbonyloxymethyl)-1-(phenylmethyl)pyridin-1-ium-4-yl]methyl benzoate Openeye Name: [2-(benzoyloxymethyl)-1-benzyl-pyridin-1-ium-4-yl]methyl benzoate CAS Name: benzoic acid [2-(benzoyloxymethyl)-1-(phenylmethyl)-4-pyridin-1-iumyl]methyl ester IUPAC Name: [2-(benzoyloxymethyl)-1-benzylpyridin-1-ium-4-yl]methyl benzoate Traditional Name: benzoic acid [2-(benzoyloxymethyl)-1-benzyl-pyridin-1-ium-4-yl]methyl ester Formula: C28H24NO4+ MolecularWeight: 438.49446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2)COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H24NO4/c30-27(24-12-6-2-7-13-24)32-20-23-16-17-29(19-22-10-4-1-5-11-22)26(18-23)21-33-28(31)25-14-8-3-9-15-25/h1-18H,19-21H2/q+1