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

Systemtic Name: (2R,3S,4R,5R)-5-(4-chlorophenyl)-3-methyl-pyrrolidin-1-ium-2,4-dicarboxylate Openeye Name: (2R,3S,4R,5R)-5-(4-chlorophenyl)-3-methyl-pyrrolidin-1-ium-2,4-dicarboxylate CAS Name: (2R,3S,4R,5R)-5-(4-chlorophenyl)-3-methylpyrrolidin-1-ium-2,4-dicarboxylate IUPAC Name: (2R,3S,4R,5R)-5-(4-chlorophenyl)-3-methylpyrrolidin-1-ium-2,4-dicarboxylate Traditional Name: (2R,3S,4R,5R)-5-(4-chlorophenyl)-3-methyl-pyrrolidin-1-ium-2,4-dicarboxylate Formula: C13H13ClNO4- MolecularWeight: 282.69962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO4/c1-6-9(12(16)17)11(15-10(6)13(18)19)7-2-4-8(14)5-3-7/h2-6,9-11,15H,1H3,(H,16,17)(H,18,19)/p-1/t6-,9+,10+,11-/m0/s1