(3S,4R)-4-(phenylcarbonyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: (3S,4R)-4-(phenylcarbonyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (3S,4R)-4-benzoylpyrrolidin-1-ium-3-carboxylate CAS Name: (3S,4R)-4-benzoyl-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3S,4R)-4-benzoylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3S,4R)-4-benzoylpyrrolidin-1-ium-3-carboxylate Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C[NH2+]1)C(=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c14-11(8-4-2-1-3-5-8)9-6-13-7-10(9)12(15)16/h1-5,9-10,13H,6-7H2,(H,15,16)/t9-,10+/m0/s1