(2S,4R)-4-oxidanyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-oxidanyl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-hydroxy-N-[3-(trifluoromethyl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C12H14F3N2O2+ MolecularWeight: 275.24697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2O2/c13-12(14,15)7-2-1-3-8(4-7)17-11(19)10-5-9(18)6-16-10/h1-4,9-10,16,18H,5-6H2,(H,17,19)/p+1/t9-,10+/m1/s1