2-[3-(2,3,3-trimethyl-1,2-dihydroindol-1-ium-1-yl)propyl]isoindole-1,3-dione bromide

Systemtic Name: 2-[3-(2,3,3-trimethyl-1,2-dihydroindol-1-ium-1-yl)propyl]isoindole-1,3-dione bromide Openeye Name: 2-[3-(2,3,3-trimethylindolin-1-ium-1-yl)propyl]isoindoline-1,3-dione bromide CAS Name: 2-[3-(2,3,3-trimethyl-1,2-dihydroindol-1-ium-1-yl)propyl]isoindole-1,3-dione bromide IUPAC Name: 2-[3-(2,3,3-trimethyl-1,2-dihydroindol-1-ium-1-yl)propyl]isoindole-1,3-dione bromide Traditional Name: 2-[3-(2,3,3-trimethylindolin-1-ium-1-yl)propyl]isoindoline-1,3-quinone bromide Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2[NH+]1CCCN3C(=O)C4=CC=CC=C4C3=O)(C)C.[Br-]

Isomeric SMILES

CC1C(C2=CC=CC=C2[NH+]1CCCN3C(=O)C4=CC=CC=C4C3=O)(C)C.[Br-]

InChI

InChI=1S/C22H24N2O2.BrH/c1-15-22(2,3)18-11-6-7-12-19(18)23(15)13-8-14-24-20(25)16-9-4-5-10-17(16)21(24)26;/h4-7,9-12,15H,8,13-14H2,1-3H3;1H