2-butyl-2-fluoranyl-isoindol-2-ium-1,3-dione

Systemtic Name: 2-butyl-2-fluoranyl-isoindol-2-ium-1,3-dione Openeye Name: 2-butyl-2-fluoro-isoindolin-2-ium-1,3-dione CAS Name: 2-butyl-2-fluoroisoindol-2-ium-1,3-dione IUPAC Name: 2-butyl-2-fluoroisoindol-2-ium-1,3-dione Traditional Name: 2-butyl-2-fluoro-isoindolin-2-ium-1,3-quinone Formula: C12H13FNO2+ MolecularWeight: 222.235523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)C2=CC=CC=C2C1=O)F

Isomeric SMILES

CCCC[N+]1(C(=O)C2=CC=CC=C2C1=O)F

InChI

InChI=1S/C12H13FNO2/c1-2-3-8-14(13)11(15)9-6-4-5-7-10(9)12(14)16/h4-7H,2-3,8H2,1H3/q+1