1-[(2-fluorophenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C18H19F4N2O2S+ MolecularWeight: 403.414273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H18F4N2O2S/c19-16-7-3-1-5-14(16)13-23-9-11-24(12-10-23)27(25,26)17-8-4-2-6-15(17)18(20,21)22/h1-8H,9-13H2/p+1