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

Systemtic Name: 2-hexylisoindol-2-ium-1,3-dione bromide Openeye Name: 2-hexylisoindolin-2-ium-1,3-dione bromide CAS Name: 2-hexylisoindol-2-ium-1,3-dione bromide IUPAC Name: 2-hexylisoindol-2-ium-1,3-dione bromide Traditional Name: 2-hexylisoindolin-2-ium-1,3-quinone bromide Formula: C14H18BrNO2 MolecularWeight: 312.20222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2.BrH/c1-2-3-4-7-10-15-13(16)11-8-5-6-9-12(11)14(15)17;/h5-6,8-9H,2-4,7,10H2,1H3;1H