(2S)-1-phenylsulfanyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-phenylsulfanyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-phenylsulfanyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(phenylthio)-3-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-phenylsulfanyl-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(phenylthio)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-ium-1-yl]propan-2-ol Formula: C18H22F3N4OS+ MolecularWeight: 399.45369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CSC2=CC=CC=C2)O)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](CSC2=CC=CC=C2)O)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H21F3N4OS/c19-18(20,21)16-6-7-22-17(23-16)25-10-8-24(9-11-25)12-14(26)13-27-15-4-2-1-3-5-15/h1-7,14,26H,8-13H2/p+1/t14-/m0/s1