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

Systemtic Name: [6-acetyloxy-2-methyl-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5-yl] ethanoate Openeye Name: (6-acetoxy-2-benzyl-2-methyl-isoindolin-2-ium-5-yl) acetate CAS Name: acetic acid [6-acetyloxy-2-methyl-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5-yl] ester IUPAC Name: (6-acetyloxy-2-benzyl-2-methyl-1,3-dihydroisoindol-2-ium-5-yl) acetate Traditional Name: acetic acid (6-acetoxy-2-benzyl-2-methyl-isoindolin-2-ium-5-yl) ester Formula: C20H22NO4+ MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO4/c1-14(22)24-19-9-17-12-21(3,11-16-7-5-4-6-8-16)13-18(17)10-20(19)25-15(2)23/h4-10H,11-13H2,1-3H3/q+1