[2,2-bis(fluoranyl)-2-pyridin-1-ium-2-yl-ethyl]-[4-[2-[(3-fluoranyl-4-methyl-pyridin-2-yl)methylamino]-2-oxidanylidene-ethyl]-5-methyl-3-oxidanylidene-1H-pyrazin-2-ylidene]azanium

Systemtic Name: [2,2-bis(fluoranyl)-2-pyridin-1-ium-2-yl-ethyl]-[4-[2-[(3-fluoranyl-4-methyl-pyridin-2-yl)methylamino]-2-oxidanylidene-ethyl]-5-methyl-3-oxidanylidene-1H-pyrazin-2-ylidene]azanium Openeye Name: (2,2-difluoro-2-pyridin-1-ium-2-yl-ethyl)-[4-[2-[(3-fluoro-4-methyl-2-pyridyl)methylamino]-2-oxo-ethyl]-5-methyl-3-oxo-1H-pyrazin-2-ylidene]ammonium CAS Name: [2,2-difluoro-2-(2-pyridin-1-iumyl)ethyl]-[4-[2-[(3-fluoro-4-methyl-2-pyridinyl)methylamino]-2-oxoethyl]-5-methyl-3-oxo-1H-pyrazin-2-ylidene]ammonium IUPAC Name: (2,2-difluoro-2-pyridin-1-ium-2-ylethyl)-[4-[2-[(3-fluoro-4-methylpyridin-2-yl)methylamino]-2-oxoethyl]-5-methyl-3-oxo-1H-pyrazin-2-ylidene]azanium Traditional Name: (2,2-difluoro-2-pyridin-1-ium-2-yl-ethyl)-[4-[2-[(3-fluoro-4-methyl-2-pyridyl)methylamino]-2-keto-ethyl]-3-keto-5-methyl-1H-pyrazin-2-ylidene]ammonium Formula: C21H23F3N6O2+2 MolecularWeight: 448.44153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)CNC(=O)CN2C(=CNC(=[NH+]CC(C3=CC=CC=[NH+]3)(F)F)C2=O)C)F

Isomeric SMILES

CC1=C(C(=NC=C1)CNC(=O)CN2C(=CNC(=[NH+]CC(C3=CC=CC=[NH+]3)(F)F)C2=O)C)F

InChI

InChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)/p+2