1-(phenylmethyl)-2,5-dihydro-1H-pyrrol-1-ium-3-carboxylate

Systemtic Name: 1-(phenylmethyl)-2,5-dihydro-1H-pyrrol-1-ium-3-carboxylate Openeye Name: 1-benzyl-2,5-dihydro-1H-pyrrol-1-ium-3-carboxylate CAS Name: 1-(phenylmethyl)-2,5-dihydro-1H-pyrrol-1-ium-3-carboxylate IUPAC Name: 1-benzyl-2,5-dihydro-1H-pyrrol-1-ium-3-carboxylate Traditional Name: 1-benzyl-3-pyrrolin-1-ium-3-carboxylate Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C[NH+]1CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C=C(C[NH+]1CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H13NO2/c14-12(15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-6H,7-9H2,(H,14,15)