4-methyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-4-ium-1-yl]sulfonyl-aniline

Systemtic Name: 4-methyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-4-ium-1-yl]sulfonyl-aniline Openeye Name: 4-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]sulfonyl-aniline CAS Name: 4-methyl-3-[[4-(2,2,2-trifluoroethyl)-1-piperazin-4-iumyl]sulfonyl]aniline IUPAC Name: 4-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]sulfonylaniline Traditional Name: [4-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]amine Formula: C13H19F3N3O2S+ MolecularWeight: 338.36907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)S(=O)(=O)N2CC[NH+](CC2)CC(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)N)S(=O)(=O)N2CC[NH+](CC2)CC(F)(F)F

InChI

InChI=1S/C13H18F3N3O2S/c1-10-2-3-11(17)8-12(10)22(20,21)19-6-4-18(5-7-19)9-13(14,15)16/h2-3,8H,4-7,9,17H2,1H3/p+1