2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)ethanoate

Systemtic Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)ethanoate Openeye Name: 2-isoindolin-2-ium-2-ylacetate CAS Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)acetate IUPAC Name: 2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)acetate Traditional Name: 2-isoindolin-2-ium-2-ylacetate Formula: C10H11NO2 MolecularWeight: 177.19984

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C[NH+]1CC(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C[NH+]1CC(=O)[O-]

InChI

InChI=1S/C10H11NO2/c12-10(13)7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-7H2,(H,12,13)