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

Systemtic Name: (3R,4R)-4-(phenylcarbonyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: (3R,4R)-4-benzoyl-1-benzyl-pyrrolidin-1-ium-3-carboxylate CAS Name: (3R,4R)-4-benzoyl-1-(phenylmethyl)-3-pyrrolidin-1-iumcarboxylate IUPAC Name: (3R,4R)-4-benzoyl-1-benzylpyrrolidin-1-ium-3-carboxylate Traditional Name: (3R,4R)-4-benzoyl-1-benzyl-pyrrolidin-1-ium-3-carboxylate Formula: C19H19NO3 MolecularWeight: 309.35906

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C[NH+]1CC2=CC=CC=C2)C(=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1[C@@H]([C@H](C[NH+]1CC2=CC=CC=C2)C(=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO3/c21-18(15-9-5-2-6-10-15)16-12-20(13-17(16)19(22)23)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,22,23)/t16-,17-/m0/s1