2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide Openeye Name: 2-(p-tolylsulfanyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide Traditional Name: 2-(p-tolylthio)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)nicotinamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C22H29N3OS/c1-15-8-10-17(11-9-15)27-20-18(7-6-12-23-20)19(26)24-16-13-21(2,3)25-22(4,5)14-16/h6-12,16,25H,13-14H2,1-5H3,(H,24,26)/p+1