2-(3-piperidin-1-ium-1-ylpropylsulfanyl)-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(3-piperidin-1-ium-1-ylpropylsulfanyl)-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(3-piperidin-1-ium-1-ylpropylsulfanyl)-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 5-[oxo(thiophen-2-yl)methyl]-2-[3-(1-piperidin-1-iumyl)propylthio]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(3-piperidin-1-ium-1-ylpropylsulfanyl)-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(3-piperidin-1-ium-1-ylpropylthio)-5-(2-thenoyl)-6-(trifluoromethyl)nicotinonitrile Formula: C20H21F3N3OS2+ MolecularWeight: 440.52545

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCSC2=NC(=C(C=C2C#N)C(=O)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)CCCSC2=NC(=C(C=C2C#N)C(=O)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3OS2/c21-20(22,23)18-15(17(27)16-6-4-10-28-16)12-14(13-24)19(25-18)29-11-5-9-26-7-2-1-3-8-26/h4,6,10,12H,1-3,5,7-9,11H2/p+1