(phenylmethyl) 2-[2-(1,3-dioxolan-1-ium-2-yl)pyridin-1-ium-1-yl]ethanoate dibromide

Systemtic Name: (phenylmethyl) 2-[2-(1,3-dioxolan-1-ium-2-yl)pyridin-1-ium-1-yl]ethanoate dibromide Openeye Name: benzyl 2-[2-(1,3-dioxolan-1-ium-2-yl)pyridin-1-ium-1-yl]acetate dibromide CAS Name: 2-[2-(1,3-dioxolan-1-ium-2-yl)-1-pyridin-1-iumyl]acetic acid (phenylmethyl) ester dibromide IUPAC Name: benzyl 2-[2-(1,3-dioxolan-1-ium-2-yl)pyridin-1-ium-1-yl]acetate dibromide Traditional Name: 2-[2-(1,3-dioxolan-1-ium-2-yl)pyridin-1-ium-1-yl]acetic acid benzyl ester dibromide Formula: C17H19Br2NO4 MolecularWeight: 461.14506

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Descriptors Computed from Structure

Canonical SMILES:

C1COC([OH+]1)C2=CC=CC=[N+]2CC(=O)OCC3=CC=CC=C3.[Br-].[Br-]

Isomeric SMILES

C1COC([OH+]1)C2=CC=CC=[N+]2CC(=O)OCC3=CC=CC=C3.[Br-].[Br-]

InChI

InChI=1S/C17H18NO4.2BrH/c19-16(22-13-14-6-2-1-3-7-14)12-18-9-5-4-8-15(18)17-20-10-11-21-17;;/h1-9,17H,10-13H2;2*1H/q+1;;/p-1