N-(1-methylpiperidin-1-ium-4-yl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-2-phenylsulfanyl-ethanamide Openeye Name: N-(1-methylpiperidin-1-ium-4-yl)-2-phenylsulfanyl-acetamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-2-(phenylthio)acetamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-2-phenylsulfanylacetamide Traditional Name: N-(1-methylpiperidin-1-ium-4-yl)-2-(phenylthio)acetamide Formula: C14H21N2OS+ MolecularWeight: 265.39434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C14H20N2OS/c1-16-9-7-12(8-10-16)15-14(17)11-18-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,15,17)/p+1