2-[bis(fluoranyl)methylsulfanyl]-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-(difluoromethylsulfanyl)-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-(difluoromethylthio)-N-[2-(1-methyl-4-piperidin-1-iumyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-(difluoromethylsulfanyl)-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-(difluoromethylthio)-N-[2-(1-methylpiperidin-1-ium-4-yl)pyrazol-3-yl]nicotinamide Formula: C16H20F2N5OS+ MolecularWeight: 368.424706

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC(F)F

Isomeric SMILES

C[NH+]1CCC(CC1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC(F)F

InChI

InChI=1S/C16H19F2N5OS/c1-22-9-5-11(6-10-22)23-13(4-8-20-23)21-14(24)12-3-2-7-19-15(12)25-16(17)18/h2-4,7-8,11,16H,5-6,9-10H2,1H3,(H,21,24)/p+1