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

Systemtic Name: (2S,4R)-4-oxidanyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-hydroxy-N-[3-(trifluoromethyl)benzyl]pyrrolidin-1-ium-2-carboxamide Formula: C13H16F3N2O2+ MolecularWeight: 289.27355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NCC2=CC(=CC=C2)C(F)(F)F)O

Isomeric SMILES

C1[C@H](C[NH2+][C@@H]1C(=O)NCC2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C13H15F3N2O2/c14-13(15,16)9-3-1-2-8(4-9)6-18-12(20)11-5-10(19)7-17-11/h1-4,10-11,17,19H,5-7H2,(H,18,20)/p+1/t10-,11+/m1/s1