1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]sulfonyl]-4-phenethyl-piperazin-4-ium CAS Name: 1-[[5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenyl]sulfonyl]-4-phenethylpiperazin-4-ium IUPAC Name: 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]sulfonyl]-4-phenethyl-piperazin-4-ium Formula: C21H24F3N4O2S2+ MolecularWeight: 485.56607

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O2S2/c1-26-19(21(22,23)24)15-17(25-26)18-7-8-20(31-18)32(29,30)28-13-11-27(12-14-28)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3/p+1