8-[[4-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]quinoline Formula: C21H20ClF3N3O2S+ MolecularWeight: 470.91561

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=C(C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)S(=O)(=O)C4=C(C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N3O2S/c22-17-6-7-19(18(13-17)21(23,24)25)31(29,30)28-11-9-27(10-12-28)14-16-4-1-3-15-5-2-8-26-20(15)16/h1-8,13H,9-12,14H2/p+1