(2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S,4R)-4-[(2,4-dichlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(2,4-dichlorobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C12H13Cl2NO2 MolecularWeight: 274.14312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)[O-])CC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)[O-])CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H13Cl2NO2/c13-9-2-1-8(10(14)5-9)3-7-4-11(12(16)17)15-6-7/h1-2,5,7,11,15H,3-4,6H2,(H,16,17)/t7-,11+/m1/s1