(2R,4R,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate

Systemtic Name: (2R,4R,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate Openeye Name: (2R,4R,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate CAS Name: (2R,4R,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate IUPAC Name: (2R,4R,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate Traditional Name: (2R,4R,5S)-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate Formula: C12H12NO4- MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C([NH2+]C1C(=O)[O-])C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1[C@H]([C@H]([NH2+][C@H]1C(=O)[O-])C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C12H13NO4/c14-11(15)8-6-9(12(16)17)13-10(8)7-4-2-1-3-5-7/h1-5,8-10,13H,6H2,(H,14,15)(H,16,17)/p-1/t8-,9-,10-/m1/s1