2-pentylisoindol-2-ium-1,3-dione bromide

Systemtic Name: 2-pentylisoindol-2-ium-1,3-dione bromide Openeye Name: 2-pentylisoindolin-2-ium-1,3-dione bromide CAS Name: 2-pentylisoindol-2-ium-1,3-dione bromide IUPAC Name: 2-pentylisoindol-2-ium-1,3-dione bromide Traditional Name: 2-amylisoindolin-2-ium-1,3-quinone bromide Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+]1C(=O)C2=CC=CC=C2C1=O.[Br-]

Isomeric SMILES

CCCCC[NH+]1C(=O)C2=CC=CC=C2C1=O.[Br-]

InChI

InChI=1S/C13H15NO2.BrH/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16;/h4-5,7-8H,2-3,6,9H2,1H3;1H