2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-1-ium-3-ylmethyl)propanamide

Systemtic Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-1-ium-3-ylmethyl)propanamide Openeye Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-1-ium-3-ylmethyl)propanamide CAS Name: 2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(3-pyridin-1-iumylmethyl)propanamide IUPAC Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-1-ium-3-ylmethyl)propanamide Traditional Name: 2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-(pyridin-1-ium-3-ylmethyl)propionamide Formula: C20H18F3N4OS+ MolecularWeight: 419.44333

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C[NH+]=CC=C1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=C[NH+]=CC=C1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C20H17F3N4OS/c1-13(18(28)25-12-14-6-5-9-24-11-14)29-19-26-16(15-7-3-2-4-8-15)10-17(27-19)20(21,22)23/h2-11,13H,12H2,1H3,(H,25,28)/p+1