4-fluoranyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-fluoranyl-3-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 4-fluoro-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 4-fluoro-3-[(4-hydroxy-1-piperidin-1-iumyl)methyl]benzenecarbothioamide IUPAC Name: 4-fluoro-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-fluoro-3-[(4-hydroxypiperidin-1-ium-1-yl)methyl]thiobenzamide Formula: C13H18FN2OS+ MolecularWeight: 269.358223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC2=C(C=CC(=C2)C(=S)N)F

Isomeric SMILES

C1C[NH+](CCC1O)CC2=C(C=CC(=C2)C(=S)N)F

InChI

InChI=1S/C13H17FN2OS/c14-12-2-1-9(13(15)18)7-10(12)8-16-5-3-11(17)4-6-16/h1-2,7,11,17H,3-6,8H2,(H2,15,18)/p+1