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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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