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

Systemtic Name: 2-ethyl-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5,6-diol Openeye Name: 2-benzyl-2-ethyl-isoindolin-2-ium-5,6-diol CAS Name: 2-ethyl-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5,6-diol IUPAC Name: 2-benzyl-2-ethyl-1,3-dihydroisoindol-2-ium-5,6-diol Traditional Name: 2-benzyl-2-ethyl-isoindolin-2-ium-5,6-diol Formula: C17H20NO2+ MolecularWeight: 270.3462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO2/c1-2-18(10-13-6-4-3-5-7-13)11-14-8-16(19)17(20)9-15(14)12-18/h3-9H,2,10-12H2,1H3,(H-,19,20)/p+1