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

Systemtic Name: 4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 4-methyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 4-methyl-2-(2-piperidin-1-ium-1-ylethylthio)-6-(trifluoromethyl)nicotinonitrile Formula: C15H19F3N3S+ MolecularWeight: 330.39167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC[NH+]2CCCCC2)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC[NH+]2CCCCC2)C(F)(F)F

InChI

InChI=1S/C15H18F3N3S/c1-11-9-13(15(16,17)18)20-14(12(11)10-19)22-8-7-21-5-3-2-4-6-21/h9H,2-8H2,1H3/p+1