2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H19F3N3O2S+ MolecularWeight: 410.43327

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O2S/c20-19(21,22)17-6-3-7-18(12-17)28(26,27)25-10-8-24(9-11-25)14-16-5-2-1-4-15(16)13-23/h1-7,12H,8-11,14H2/p+1