(2R)-N-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(4-methyl-1-piperazin-4-iumyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanamide IUPAC Name: (2R)-N-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionamide Formula: C19H23F3N5OS+ MolecularWeight: 426.47903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1CC[NH+](CC1)C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NN1CC[NH+](CC1)C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H22F3N5OS/c1-13(17(28)25-27-10-8-26(2)9-11-27)29-18-23-15(14-6-4-3-5-7-14)12-16(24-18)19(20,21)22/h3-7,12-13H,8-11H2,1-2H3,(H,25,28)/p+1/t13-/m1/s1