2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(2-piperidin-1-ium-1-ylethylthio)-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C18H19F3N3S2+ MolecularWeight: 398.48877

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N

InChI

InChI=1S/C18H18F3N3S2/c19-18(20,21)14-11-15(16-5-4-9-25-16)23-17(13(14)12-22)26-10-8-24-6-2-1-3-7-24/h4-5,9,11H,1-3,6-8,10H2/p+1