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

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-(4-pyridyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylthio]-6-pyridin-4-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthio)-6-(4-pyridyl)-4-(trifluoromethyl)nicotinonitrile Formula: C18H18F3N4OS+ MolecularWeight: 395.42193

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=C(C(=CC(=N2)C3=CC=NC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1COCC[NH+]1CCSC2=C(C(=CC(=N2)C3=CC=NC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C18H17F3N4OS/c19-18(20,21)15-11-16(13-1-3-23-4-2-13)24-17(14(15)12-22)27-10-7-25-5-8-26-9-6-25/h1-4,11H,5-10H2/p+1