(2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide Openeye Name: (2R)-2-(2-chloro-6-fluoro-phenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide CAS Name: (2R)-2-(2-chloro-6-fluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethanethioamide IUPAC Name: (2R)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ium-1-ylethanethioamide Traditional Name: (2R)-2-(2-chloro-6-fluoro-phenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide Formula: C12H15ClFN2S+ MolecularWeight: 273.777303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=C(C=CC=C2Cl)F)C(=S)N

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=C(C=CC=C2Cl)F)C(=S)N

InChI

InChI=1S/C12H14ClFN2S/c13-8-4-3-5-9(14)10(8)11(12(15)17)16-6-1-2-7-16/h3-5,11H,1-2,6-7H2,(H2,15,17)/p+1/t11-/m1/s1