4-fluoranyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbothioamide

Systemtic Name: 4-fluoranyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbothioamide Openeye Name: 4-fluoro-3-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbothioamide CAS Name: 4-fluoro-3-(1-pyrrolidin-1-iumylmethyl)benzenecarbothioamide IUPAC Name: 4-fluoro-3-(pyrrolidin-1-ium-1-ylmethyl)benzenecarbothioamide Traditional Name: 4-fluoro-3-(pyrrolidin-1-ium-1-ylmethyl)thiobenzamide Formula: C12H16FN2S+ MolecularWeight: 239.332243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C12H15FN2S/c13-11-4-3-9(12(14)16)7-10(11)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H2,14,16)/p+1