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

Systemtic Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 4-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethylthio)-6-(trifluoromethyl)nicotinonitrile Formula: C14H17F3N3OS+ MolecularWeight: 332.36449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC[NH+]2CCOCC2)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC[NH+]2CCOCC2)C(F)(F)F

InChI

InChI=1S/C14H16F3N3OS/c1-10-8-12(14(15,16)17)19-13(11(10)9-18)22-7-4-20-2-5-21-6-3-20/h8H,2-7H2,1H3/p+1