1-(1-benzothiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C20H20F3N2O2S2+ MolecularWeight: 441.51021

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H19F3N2O2S2/c21-20(22,23)17-6-2-4-8-19(17)29(26,27)25-11-9-24(10-12-25)13-15-14-28-18-7-3-1-5-16(15)18/h1-8,14H,9-13H2/p+1