[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-[5-chloranyl-4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]-3-oxidanylidene-1H-pyrazin-2-ylidene]azanium chloride

Systemtic Name: [2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]-[5-chloranyl-4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]-3-oxidanylidene-1H-pyrazin-2-ylidene]azanium chloride Openeye Name: [5-chloro-4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxo-ethyl]-3-oxo-1H-pyrazin-2-ylidene]-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]ammonium chloride CAS Name: [5-chloro-4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-1H-pyrazin-2-ylidene]-[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]ammonium chloride IUPAC Name: [5-chloro-4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-1H-pyrazin-2-ylidene]-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]azanium chloride Traditional Name: [5-chloro-4-[2-[1-(3-chlorophenyl)ethylamino]-2-keto-ethyl]-3-keto-1H-pyrazin-2-ylidene]-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]ammonium chloride Formula: C21H20Cl3F2N5O3 MolecularWeight: 534.771006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)NC(=O)CN2C(=CNC(=[NH+]CC(C3=CC=CC=[N+]3[O-])(F)F)C2=O)Cl.[Cl-]

Isomeric SMILES

CC(C1=CC(=CC=C1)Cl)NC(=O)CN2C(=CNC(=[NH+]CC(C3=CC=CC=[N+]3[O-])(F)F)C2=O)Cl.[Cl-]

InChI

InChI=1S/C21H19Cl2F2N5O3.ClH/c1-13(14-5-4-6-15(22)9-14)28-18(31)11-29-17(23)10-26-19(20(29)32)27-12-21(24,25)16-7-2-3-8-30(16)33;/h2-10,13H,11-12H2,1H3,(H,26,27)(H,28,31);1H