(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethanethioamide Openeye Name: (2R)-2-phenyl-2-piperidin-1-ium-1-yl-thioacetamide CAS Name: (2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethanethioamide IUPAC Name: (2R)-2-phenyl-2-piperidin-1-ium-1-ylethanethioamide Traditional Name: (2R)-2-phenyl-2-piperidin-1-ium-1-yl-thioacetamide Formula: C13H19N2S+ MolecularWeight: 235.36836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=S)N

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C13H18N2S/c14-13(16)12(11-7-3-1-4-8-11)15-9-5-2-6-10-15/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,16)/p+1/t12-/m1/s1