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

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylthio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(2-morpholin-4-ium-4-ylethylthio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C19H19F3N3OS+ MolecularWeight: 394.43387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3OS/c20-19(21,22)16-12-17(14-4-2-1-3-5-14)24-18(15(16)13-23)27-11-8-25-6-9-26-10-7-25/h1-5,12H,6-11H2/p+1