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

Systemtic Name: (2S,4R)-4-oxidanyl-N-[2-(trifluoromethyloxy)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-hydroxy-N-[2-(trifluoromethoxy)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-hydroxy-N-[2-(trifluoromethoxy)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-hydroxy-N-[2-(trifluoromethoxy)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-hydroxy-N-[2-(trifluoromethoxy)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C12H14F3N2O3+ MolecularWeight: 291.24637

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=CC=CC=C2OC(F)(F)F)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NC2=CC=CC=C2OC(F)(F)F)O

InChI

InChI=1S/C12H13F3N2O3/c13-12(14,15)20-10-4-2-1-3-8(10)17-11(19)9-5-7(18)6-16-9/h1-4,7,9,16,18H,5-6H2,(H,17,19)/p+1/t7-,9+/m1/s1