(3S,4S)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarboxylate

Systemtic Name: (3S,4S)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarboxylate Openeye Name: (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylate CAS Name: (3S,4S)-1-(phenylmethyl)pyrrolidin-1-ium-3,4-dicarboxylate IUPAC Name: (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylate Traditional Name: (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-dicarboxylate Formula: C13H14NO4- MolecularWeight: 248.25456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c15-12(16)10-7-14(8-11(10)13(17)18)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)(H,17,18)/p-1/t10-,11-/m1/s1