4-(2,3-dihydro-1H-isoindol-2-ium-2-yl)benzoate

Systemtic Name: 4-(2,3-dihydro-1H-isoindol-2-ium-2-yl)benzoate Openeye Name: 4-isoindolin-2-ium-2-ylbenzoate CAS Name: 4-(2,3-dihydro-1H-isoindol-2-ium-2-yl)benzoate IUPAC Name: 4-(2,3-dihydro-1H-isoindol-2-ium-2-yl)benzoate Traditional Name: 4-isoindolin-2-ium-2-ylbenzoate Formula: C15H13NO2 MolecularWeight: 239.26922

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C[NH+]1C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC=C2C[NH+]1C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H13NO2/c17-15(18)11-5-7-14(8-6-11)16-9-12-3-1-2-4-13(12)10-16/h1-8H,9-10H2,(H,17,18)