3-[[2-fluoranyl-4-methyl-3-(1-oxidanidylpyridin-1-ium-3-yl)oxy-phenyl]methyl]-5-methyl-1H-pyridazin-6-one

Systemtic Name: 3-[[2-fluoranyl-4-methyl-3-(1-oxidanidylpyridin-1-ium-3-yl)oxy-phenyl]methyl]-5-methyl-1H-pyridazin-6-one Openeye Name: 3-[[2-fluoro-4-methyl-3-(1-oxidopyridin-1-ium-3-yl)oxy-phenyl]methyl]-5-methyl-1H-pyridazin-6-one CAS Name: 3-[[2-fluoro-4-methyl-3-[(1-oxido-3-pyridin-1-iumyl)oxy]phenyl]methyl]-5-methyl-1H-pyridazin-6-one IUPAC Name: 3-[[2-fluoro-4-methyl-3-(1-oxidopyridin-1-ium-3-yl)oxyphenyl]methyl]-5-methyl-1H-pyridazin-6-one Traditional Name: 3-[2-fluoro-4-methyl-3-(1-oxidopyridin-1-ium-3-yl)oxy-benzyl]-5-methyl-1H-pyridazin-6-one Formula: C18H16FN3O3 MolecularWeight: 341.336343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CC2=NNC(=O)C(=C2)C)F)OC3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)CC2=NNC(=O)C(=C2)C)F)OC3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C18H16FN3O3/c1-11-5-6-13(9-14-8-12(2)18(23)21-20-14)16(19)17(11)25-15-4-3-7-22(24)10-15/h3-8,10H,9H2,1-2H3,(H,21,23)