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

Systemtic Name: 2-phenylsulfanyl-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-phenylsulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-(phenylthio)-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-phenylsulfanyl-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-(phenylthio)-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C16H25N2OS+ MolecularWeight: 293.4475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2OS/c1-2-10-18-11-8-14(9-12-18)17-16(19)13-20-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,17,19)/p+1