5-[1,1-bis(fluoranyl)ethyl]-2-(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-4-ethyl-pyridazin-3-one

Systemtic Name: 5-[1,1-bis(fluoranyl)ethyl]-2-(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-4-ethyl-pyridazin-3-one Openeye Name: 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)-4-ethyl-pyridazin-3-one CAS Name: 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)-4-ethyl-3-pyridazinone IUPAC Name: 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)-4-ethylpyridazin-3-one Traditional Name: 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)-4-ethyl-pyridazin-3-one Formula: C15H17F2N3O2 MolecularWeight: 309.311186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN(C1=O)C2=C(C=C(C=[N+]2[O-])C)C)C(C)(F)F

Isomeric SMILES

CCC1=C(C=NN(C1=O)C2=C(C=C(C=[N+]2[O-])C)C)C(C)(F)F

InChI

InChI=1S/C15H17F2N3O2/c1-5-11-12(15(4,16)17)7-18-20(14(11)21)13-10(3)6-9(2)8-19(13)22/h6-8H,5H2,1-4H3