2-butan-2-yl-5,6-dimethoxy-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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