(2R,3R,4R,5R)-3-methyl-5-phenyl-pyrrolidin-1-ium-2,4-dicarboxylate

Systemtic Name: (2R,3R,4R,5R)-3-methyl-5-phenyl-pyrrolidin-1-ium-2,4-dicarboxylate Openeye Name: (2R,3R,4R,5R)-3-methyl-5-phenyl-pyrrolidin-1-ium-2,4-dicarboxylate CAS Name: (2R,3R,4R,5R)-3-methyl-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate IUPAC Name: (2R,3R,4R,5R)-3-methyl-5-phenylpyrrolidin-1-ium-2,4-dicarboxylate Traditional Name: (2R,3R,4R,5R)-3-methyl-5-phenyl-pyrrolidin-1-ium-2,4-dicarboxylate Formula: C13H14NO4- MolecularWeight: 248.25456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C([NH2+]C1C(=O)[O-])C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-7-9(12(15)16)11(14-10(7)13(17)18)8-5-3-2-4-6-8/h2-7,9-11,14H,1H3,(H,15,16)(H,17,18)/p-1/t7-,9-,10-,11+/m1/s1