2-oxidanyl-2-propyl-isoindol-2-ium-1,3-dione

Systemtic Name: 2-oxidanyl-2-propyl-isoindol-2-ium-1,3-dione Openeye Name: 2-hydroxy-2-propyl-isoindolin-2-ium-1,3-dione CAS Name: 2-hydroxy-2-propylisoindol-2-ium-1,3-dione IUPAC Name: 2-hydroxy-2-propylisoindol-2-ium-1,3-dione Traditional Name: 2-hydroxy-2-propyl-isoindolin-2-ium-1,3-quinone Formula: C11H12NO3+ MolecularWeight: 206.21788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12NO3/c1-2-7-12(15)10(13)8-5-3-4-6-9(8)11(12)14/h3-6,15H,2,7H2,1H3/q+1