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

Systemtic Name: 6-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(3-methoxyphenyl)-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C20H21F3N3O2S+ MolecularWeight: 424.45985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC[NH+]3CCOCC3

InChI

InChI=1S/C20H20F3N3O2S/c1-27-15-4-2-3-14(11-15)18-12-17(20(21,22)23)16(13-24)19(25-18)29-10-7-26-5-8-28-9-6-26/h2-4,11-12H,5-10H2,1H3/p+1