2-butylisoindol-2-ium-1,3-dione chloride

Systemtic Name: 2-butylisoindol-2-ium-1,3-dione chloride Openeye Name: 2-butylisoindolin-2-ium-1,3-dione chloride CAS Name: 2-butylisoindol-2-ium-1,3-dione chloride IUPAC Name: 2-butylisoindol-2-ium-1,3-dione chloride Traditional Name: 2-butylisoindolin-2-ium-1,3-quinone chloride Formula: C12H14ClNO2 MolecularWeight: 239.69806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1C(=O)C2=CC=CC=C2C1=O.[Cl-]

Isomeric SMILES

CCCC[NH+]1C(=O)C2=CC=CC=C2C1=O.[Cl-]

InChI

InChI=1S/C12H13NO2.ClH/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15;/h4-7H,2-3,8H2,1H3;1H