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

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-[2-(1-methyl-4-piperidin-1-iumyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]-2-(p-tolylthio)nicotinamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-16-5-7-18(8-6-16)29-22-19(4-3-12-23-22)21(28)25-20-9-13-24-27(20)17-10-14-26(2)15-11-17/h3-9,12-13,17H,10-11,14-15H2,1-2H3,(H,25,28)/p+1