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

Systemtic Name: (2S,4R)-N-[3,4-bis(fluoranyl)phenyl]-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N-(3,4-difluorophenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N-(3,4-difluorophenyl)-4-hydroxy-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N-(3,4-difluorophenyl)-4-hydroxy-pyrrolidin-1-ium-2-carboxamide Formula: C11H13F2N2O2+ MolecularWeight: 243.229926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12F2N2O2/c12-8-2-1-6(3-9(8)13)15-11(17)10-4-7(16)5-14-10/h1-3,7,10,14,16H,4-5H2,(H,15,17)/p+1/t7-,10+/m1/s1