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

Systemtic Name: (2R)-1-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one Openeye Name: (2R)-1-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propan-1-one CAS Name: (2R)-1-(4-methyl-1-piperazin-4-iumyl)-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-propanone IUPAC Name: (2R)-1-(4-methylpiperazin-4-ium-1-yl)-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropan-1-one Traditional Name: (2R)-1-(4-methylpiperazin-4-ium-1-yl)-2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propan-1-one Formula: C19H22F3N4OS+ MolecularWeight: 411.46439

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)C)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H21F3N4OS/c1-13(17(27)26-10-8-25(2)9-11-26)28-18-23-15(14-6-4-3-5-7-14)12-16(24-18)19(20,21)22/h3-7,12-13H,8-11H2,1-2H3/p+1/t13-/m1/s1