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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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