2-(4-fluorophenyl)-5-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]pyridazin-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-5-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-5-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-[(1-oxido-4-pyridin-1-iumyl)methoxy]-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-5-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-5-methyl-6-(2-methyl-1,3-dioxolan-2-yl)-4-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyridazin-3-one Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C2(OCCO2)C)C3=CC=C(C=C3)F)OCC4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N=C1C2(OCCO2)C)C3=CC=C(C=C3)F)OCC4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C21H20FN3O5/c1-14-18(28-13-15-7-9-24(27)10-8-15)20(26)25(17-5-3-16(22)4-6-17)23-19(14)21(2)29-11-12-30-21/h3-10H,11-13H2,1-2H3