1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Traditional Name: 1-brosyl-4-[3-(trifluoromethyl)phenyl]piperazin-4-ium Formula: C17H17BrF3N2O2S+ MolecularWeight: 450.29329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrF3N2O2S/c18-14-4-6-16(7-5-14)26(24,25)23-10-8-22(9-11-23)15-3-1-2-13(12-15)17(19,20)21/h1-7,12H,8-11H2/p+1