(2S,3S,4R)-3-(carboxymethyl)-4-phenyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: (2S,3S,4R)-3-(carboxymethyl)-4-phenyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2S,3S,4R)-3-(carboxymethyl)-4-phenyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2S,3S,4R)-3-(carboxymethyl)-4-phenyl-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2S,3S,4R)-3-(carboxymethyl)-4-phenylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2S,3S,4R)-3-(carboxymethyl)-4-phenyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C13H16NO4+ MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c15-11(16)6-9-10(7-14-12(9)13(17)18)8-4-2-1-3-5-8/h1-5,9-10,12,14H,6-7H2,(H,15,16)(H,17,18)/p+1/t9-,10-,12-/m0/s1