(2S)-1-(3-bromanylphenoxy)-3-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(3-bromanylphenoxy)-3-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(3-bromophenoxy)-3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(3-bromophenoxy)-3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(3-bromophenoxy)-3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(3-bromophenoxy)-3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-2-ol Formula: C20H22BrClF3N2O4S+ MolecularWeight: 558.81689

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC(=CC=C2)Br)O)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC(=CC=C2)Br)O)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H21BrClF3N2O4S/c21-15-2-1-3-17(11-15)31-13-16(28)12-26-6-8-27(9-7-26)32(29,30)19-10-14(20(23,24)25)4-5-18(19)22/h1-5,10-11,16,28H,6-9,12-13H2/p+1/t16-/m0/s1