1-(phenylmethyl)-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-(2,3,4-trifluorophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzyl-4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2,3,4-trifluorophenyl)sulfonyl-piperazin-1-ium Formula: C17H18F3N2O2S+ MolecularWeight: 371.39723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C17H17F3N2O2S/c18-14-6-7-15(17(20)16(14)19)25(23,24)22-10-8-21(9-11-22)12-13-4-2-1-3-5-13/h1-7H,8-12H2/p+1