5-(2,3-dihydro-1H-isoindol-2-ium-2-yl)pentanoate

Systemtic Name: 5-(2,3-dihydro-1H-isoindol-2-ium-2-yl)pentanoate Openeye Name: 5-isoindolin-2-ium-2-ylpentanoate CAS Name: 5-(2,3-dihydro-1H-isoindol-2-ium-2-yl)pentanoate IUPAC Name: 5-(2,3-dihydro-1H-isoindol-2-ium-2-yl)pentanoate Traditional Name: 5-isoindolin-2-ium-2-ylvalerate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c15-13(16)7-3-4-8-14-9-11-5-1-2-6-12(11)10-14/h1-2,5-6H,3-4,7-10H2,(H,15,16)