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

Systemtic Name: 6-(furan-2-yl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(2-furyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(2-furanyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(furan-2-yl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(2-furyl)-2-(2-morpholin-4-ium-4-ylethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C17H17F3N3O2S+ MolecularWeight: 384.39599

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=C(C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C#N

Isomeric SMILES

C1COCC[NH+]1CCSC2=C(C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C#N

InChI

InChI=1S/C17H16F3N3O2S/c18-17(19,20)13-10-14(15-2-1-6-25-15)22-16(12(13)11-21)26-9-5-23-3-7-24-8-4-23/h1-2,6,10H,3-5,7-9H2/p+1