2-prop-2-enyl-2,3-dihydro-1H-isoindol-2-ium-5-carboxylate

Systemtic Name: 2-prop-2-enyl-2,3-dihydro-1H-isoindol-2-ium-5-carboxylate Openeye Name: 2-allylisoindolin-2-ium-5-carboxylate CAS Name: 2-prop-2-enyl-2,3-dihydro-1H-isoindol-2-ium-5-carboxylate IUPAC Name: 2-prop-2-enyl-2,3-dihydro-1H-isoindol-2-ium-5-carboxylate Traditional Name: 2-allylisoindolin-2-ium-5-carboxylate Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CC2=C(C1)C=C(C=C2)C(=O)[O-]

Isomeric SMILES

C=CC[NH+]1CC2=C(C1)C=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H13NO2/c1-2-5-13-7-10-4-3-9(12(14)15)6-11(10)8-13/h2-4,6H,1,5,7-8H2,(H,14,15)