2-[3-[[2,2-bis(fluoranyl)-2-(1-oxidanylpyridin-1-ium-2-yl)ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl]ethanamide

Systemtic Name: 2-[3-[[2,2-bis(fluoranyl)-2-(1-oxidanylpyridin-1-ium-2-yl)ethyl]amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]-N-[[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]methyl]ethanamide Openeye Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-2-oxo-pyrazin-1-yl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide CAS Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-hydroxy-2-pyridin-1-iumyl)ethyl]amino]-2-oxo-1-pyrazinyl]-N-[[5-chloro-2-(1-tetrazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide Traditional Name: 2-[6-chloro-3-[[2,2-difluoro-2-(1-hydroxypyridin-1-ium-2-yl)ethyl]amino]-2-keto-pyrazin-1-yl]-N-[5-chloro-2-(tetrazol-1-yl)benzyl]acetamide Formula: C21H18Cl2F2N9O3+ MolecularWeight: 553.328926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC(=C3)Cl)N4C=NN=N4)Cl)(F)F)O

Isomeric SMILES

C1=CC=[N+](C(=C1)C(CNC2=NC=C(N(C2=O)CC(=O)NCC3=C(C=CC(=C3)Cl)N4C=NN=N4)Cl)(F)F)O

InChI

InChI=1S/C21H17Cl2F2N9O3/c22-14-4-5-15(33-12-29-30-31-33)13(7-14)8-26-18(35)10-32-17(23)9-27-19(20(32)36)28-11-21(24,25)16-3-1-2-6-34(16)37/h1-7,9,12H,8,10-11H2,(H2-,26,27,28,35,37)/p+1