2-(2,5-dimethylphenyl)sulfanyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(1-methyl-4-piperidin-1-iumyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]nicotinamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NC3=CC=NN3C4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N5OS/c1-16-6-7-17(2)20(15-16)30-23-19(5-4-11-24-23)22(29)26-21-8-12-25-28(21)18-9-13-27(3)14-10-18/h4-8,11-12,15,18H,9-10,13-14H2,1-3H3,(H,26,29)/p+1