N-(2-morpholin-4-ium-4-ylethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C19H22F3N4O2S+ MolecularWeight: 427.46379

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H21F3N4O2S/c20-19(21,22)16-12-15(14-4-2-1-3-5-14)24-18(25-16)29-13-17(27)23-6-7-26-8-10-28-11-9-26/h1-5,12H,6-11,13H2,(H,23,27)/p+1