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

Systemtic Name: (2R)-2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)pentanedioate Openeye Name: (2R)-2-isoindolin-2-ium-2-ylpentanedioate CAS Name: (2R)-2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)pentanedioate IUPAC Name: (2R)-2-(2,3-dihydro-1H-isoindol-2-ium-2-yl)pentanedioate Traditional Name: (2R)-2-isoindolin-2-ium-2-ylglutarate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c15-12(16)6-5-11(13(17)18)14-7-9-3-1-2-4-10(9)8-14/h1-4,11H,5-8H2,(H,15,16)(H,17,18)/p-1/t11-/m1/s1