2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]ethanamide bromide Openeye Name: 2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide bromide CAS Name: 2-(4-thiophen-2-yl-1-pyrimidin-1-iumyl)-N-[3-(trifluoromethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-thiophen-2-ylpyrimidin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide bromide Traditional Name: 2-[4-(2-thienyl)pyrimidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide bromide Formula: C17H13BrF3N3OS MolecularWeight: 444.26883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3)C(F)(F)F.[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C[N+]2=CN=C(C=C2)C3=CC=CS3)C(F)(F)F.[Br-]

InChI

InChI=1S/C17H12F3N3OS.BrH/c18-17(19,20)12-3-1-4-13(9-12)22-16(24)10-23-7-6-14(21-11-23)15-5-2-8-25-15;/h1-9,11H,10H2;1H