[2-[[2-[3-[[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]ethanoylamino]methyl]phenyl] 2,2,2-tris(fluoranyl)ethyl sulfate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: [2-[[2-[3-[[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]ethanoylamino]methyl]phenyl] 2,2,2-tris(fluoranyl)ethyl sulfate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: [2-[[[2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]acetyl]amino]methyl]phenyl] 2,2,2-trifluoroethyl sulfate; 2,2,2-trifluoroacetic acid CAS Name: sulfuric acid [2-[[[2-[6-chloro-3-[[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]amino]-2-oxo-1-pyrazinyl]-1-oxoethyl]amino]methyl]phenyl] 2,2,2-trifluoroethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: [2-[[[2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]acetyl]amino]methyl]phenyl] 2,2,2-trifluoroethyl sulfate; 2,2,2-trifluoroacetic acid Traditional Name: sulfuric acid [2-[[[2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-keto-pyrazin-1-yl]acetyl]amino]methyl]phenyl] 2,2,2-trifluoroethyl ester; 2,2,2-trifluoroacetic acid Formula: C24H20ClF8N5O9S MolecularWeight: 741.948926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=[N+]3[O-])(F)F)Cl)OS(=O)(=O)OCC(F)(F)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=[N+]3[O-])(F)F)Cl)OS(=O)(=O)OCC(F)(F)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H19ClF5N5O7S.C2HF3O2/c23-17-10-30-19(31-12-21(24,25)16-7-3-4-8-33(16)36)20(35)32(17)11-18(34)29-9-14-5-1-2-6-15(14)40-41(37,38)39-13-22(26,27)28;3-2(4,5)1(6)7/h1-8,10H,9,11-13H2,(H,29,34)(H,30,31);(H,6,7)