[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] 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] 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] ethyl 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] ethyl 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] ethyl 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] ethyl ester; 2,2,2-trifluoroacetic acid Formula: C24H23ClF5N5O9S MolecularWeight: 687.977536

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)OC1=CC=CC=C1CNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=[N+]3[O-])(F)F)Cl.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOS(=O)(=O)OC1=CC=CC=C1CNC(=O)CN2C(=CN=C(C2=O)NCC(C3=CC=CC=[N+]3[O-])(F)F)Cl.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C22H22ClF2N5O7S.C2HF3O2/c1-2-36-38(34,35)37-16-8-4-3-7-15(16)11-26-19(31)13-29-18(23)12-27-20(21(29)32)28-14-22(24,25)17-9-5-6-10-30(17)33;3-2(4,5)1(6)7/h3-10,12H,2,11,13-14H2,1H3,(H,26,31)(H,27,28);(H,6,7)