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

Systemtic Name: 2-butan-2-yl-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5,6-diol Openeye Name: 2-benzyl-2-sec-butyl-isoindolin-2-ium-5,6-diol CAS Name: 2-butan-2-yl-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5,6-diol IUPAC Name: 2-benzyl-2-butan-2-yl-1,3-dihydroisoindol-2-ium-5,6-diol Traditional Name: 2-benzyl-2-sec-butyl-isoindolin-2-ium-5,6-diol Formula: C19H24NO2+ MolecularWeight: 298.39936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO2/c1-3-14(2)20(11-15-7-5-4-6-8-15)12-16-9-18(21)19(22)10-17(16)13-20/h4-10,14H,3,11-13H2,1-2H3,(H-,21,22)/p+1