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

Systemtic Name: 3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propanoate Openeye Name: 3-isoindolin-2-ium-2-ylpropanoate CAS Name: 3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propanoate IUPAC Name: 3-(2,3-dihydro-1H-isoindol-2-ium-2-yl)propanoate Traditional Name: 3-isoindolin-2-ium-2-ylpropionate Formula: C11H13NO2 MolecularWeight: 191.22642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2/c13-11(14)5-6-12-7-9-3-1-2-4-10(9)8-12/h1-4H,5-8H2,(H,13,14)