[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] methyl 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] methyl 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] methyl 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] methyl 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] methyl 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] methyl ester; 2,2,2-trifluoroacetic acid Formula: C23H21ClF5N5O9S MolecularWeight: 673.950956

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Descriptors Computed from Structure

Canonical SMILES:

COS(=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

COS(=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/C21H20ClF2N5O7S.C2HF3O2/c1-35-37(33,34)36-15-7-3-2-6-14(15)10-25-18(30)12-28-17(22)11-26-19(20(28)31)27-13-21(23,24)16-8-4-5-9-29(16)32;3-2(4,5)1(6)7/h2-9,11H,10,12-13H2,1H3,(H,25,30)(H,26,27);(H,6,7)