1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-4-ium

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-4-ium Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-4-ium CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-4-ium IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-4-ium Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-4-ium Formula: C12H13F6N2O2S+ MolecularWeight: 363.299239

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H12F6N2O2S/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)23(21,22)20-3-1-19-2-4-20/h5-7,19H,1-4H2/p+1