2-(4-bromophenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide Formula: C17H26BrN2OS+ MolecularWeight: 386.37014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSC2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C17H25BrN2OS/c1-16(2)9-13(10-17(3,4)20-16)19-15(21)11-22-14-7-5-12(18)6-8-14/h5-8,13,20H,9-11H2,1-4H3,(H,19,21)/p+1