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

Systemtic Name: 2-methyl-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5,6-diol bromide Openeye Name: 2-benzyl-2-methyl-isoindolin-2-ium-5,6-diol bromide CAS Name: 2-methyl-2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-5,6-diol bromide IUPAC Name: 2-benzyl-2-methyl-1,3-dihydroisoindol-2-ium-5,6-diol bromide Traditional Name: 2-benzyl-2-methyl-isoindolin-2-ium-5,6-diol bromide Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2.BrH/c1-17(9-12-5-3-2-4-6-12)10-13-7-15(18)16(19)8-14(13)11-17;/h2-8H,9-11H2,1H3,(H-,18,19);1H