2-(phenylmethyl)-2,3-dihydro-1H-isoindol-2-ium-4-carboxylate

Systemtic Name: 2-(phenylmethyl)-2,3-dihydro-1H-isoindol-2-ium-4-carboxylate Openeye Name: 2-benzylisoindolin-2-ium-4-carboxylate CAS Name: 2-(phenylmethyl)-2,3-dihydro-1H-isoindol-2-ium-4-carboxylate IUPAC Name: 2-benzyl-2,3-dihydro-1H-isoindol-2-ium-4-carboxylate Traditional Name: 2-benzylisoindolin-2-ium-4-carboxylate Formula: C16H15NO2 MolecularWeight: 253.2958

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC(=C2C[NH+]1CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C2=CC=CC(=C2C[NH+]1CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H15NO2/c18-16(19)14-8-4-7-13-10-17(11-15(13)14)9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,18,19)