(2S,4R)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C12H13ClF3N2O2+ MolecularWeight: 309.69203

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)O

InChI

InChI=1S/C12H12ClF3N2O2/c13-8-2-1-6(12(14,15)16)3-9(8)18-11(20)10-4-7(19)5-17-10/h1-3,7,10,17,19H,4-5H2,(H,18,20)/p+1/t7-,10+/m1/s1