2-tert-butyl-5,6-dimethoxy-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium

Systemtic Name: 2-tert-butyl-5,6-dimethoxy-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium Openeye Name: 2-benzyl-2-tert-butyl-5,6-dimethoxy-isoindolin-2-ium CAS Name: 2-tert-butyl-5,6-dimethoxy-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium IUPAC Name: 2-benzyl-2-tert-butyl-5,6-dimethoxy-1,3-dihydroisoindol-2-ium Traditional Name: 2-benzyl-2-tert-butyl-5,6-dimethoxy-isoindolin-2-ium Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(CC2=CC(=C(C=C2C1)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[N+]1(CC2=CC(=C(C=C2C1)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H28NO2/c1-21(2,3)22(13-16-9-7-6-8-10-16)14-17-11-19(23-4)20(24-5)12-18(17)15-22/h6-12H,13-15H2,1-5H3/q+1