[6-acetyloxy-2,2-bis(phenylmethyl)-1,3-dihydroisoindol-2-ium-5-yl] ethanoate

Systemtic Name: [6-acetyloxy-2,2-bis(phenylmethyl)-1,3-dihydroisoindol-2-ium-5-yl] ethanoate Openeye Name: (6-acetoxy-2,2-dibenzyl-isoindolin-2-ium-5-yl) acetate CAS Name: acetic acid [6-acetyloxy-2,2-bis(phenylmethyl)-1,3-dihydroisoindol-2-ium-5-yl] ester IUPAC Name: (6-acetyloxy-2,2-dibenzyl-1,3-dihydroisoindol-2-ium-5-yl) acetate Traditional Name: acetic acid (6-acetoxy-2,2-dibenzyl-isoindolin-2-ium-5-yl) ester Formula: C26H26NO4+ MolecularWeight: 416.48894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C[N+](CC2=C1)(CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C2C[N+](CC2=C1)(CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C

InChI

InChI=1S/C26H26NO4/c1-19(28)30-25-13-23-17-27(15-21-9-5-3-6-10-21,16-22-11-7-4-8-12-22)18-24(23)14-26(25)31-20(2)29/h3-14H,15-18H2,1-2H3/q+1