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

Systemtic Name: 2-propylisoindol-2-ium-1,3-dione bromide Openeye Name: 2-propylisoindolin-2-ium-1,3-dione bromide CAS Name: 2-propylisoindol-2-ium-1,3-dione bromide IUPAC Name: 2-propylisoindol-2-ium-1,3-dione bromide Traditional Name: 2-propylisoindolin-2-ium-1,3-quinone bromide Formula: C11H12BrNO2 MolecularWeight: 270.12248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2.BrH/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;/h3-6H,2,7H2,1H3;1H