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

Systemtic Name: 2-hexylisoindol-2-ium-1,3-dione chloride Openeye Name: 2-hexylisoindolin-2-ium-1,3-dione chloride CAS Name: 2-hexylisoindol-2-ium-1,3-dione chloride IUPAC Name: 2-hexylisoindol-2-ium-1,3-dione chloride Traditional Name: 2-hexylisoindolin-2-ium-1,3-quinone chloride Formula: C14H18ClNO2 MolecularWeight: 267.75122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2.ClH/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