(2R)-1-(4-phenylpiperazin-1-ium-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propan-2-ol

Systemtic Name: (2R)-1-(4-phenylpiperazin-1-ium-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propan-2-ol Openeye Name: (2R)-1-(4-phenylpiperazin-1-ium-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-propan-2-ol CAS Name: (2R)-1-(4-phenyl-1-piperazin-1-iumyl)-3-[[3-(trifluoromethyl)phenyl]thio]-2-propanol IUPAC Name: (2R)-1-(4-phenylpiperazin-1-ium-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-ol Traditional Name: (2R)-1-(4-phenylpiperazin-1-ium-1-yl)-3-[[3-(trifluoromethyl)phenyl]thio]propan-2-ol Formula: C20H24F3N2OS+ MolecularWeight: 397.47757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23F3N2OS/c21-20(22,23)16-5-4-8-19(13-16)27-15-18(26)14-24-9-11-25(12-10-24)17-6-2-1-3-7-17/h1-8,13,18,26H,9-12,14-15H2/p+1/t18-/m1/s1