6-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methyl-3H-quinolin-1-ium-2-one

Systemtic Name: 6-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methyl-3H-quinolin-1-ium-2-one Openeye Name: 6-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-3H-quinolin-1-ium-2-one CAS Name: 6-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-1-methyl-3H-quinolin-1-ium-2-one IUPAC Name: 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methyl-3H-quinolin-1-ium-2-one Traditional Name: 6-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-3H-quinolin-1-ium-2-one Formula: C23H25FNO4+ MolecularWeight: 398.447303

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC(=CC2=CCC1=O)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F

Isomeric SMILES

C[N+]1=C2C=CC(=CC2=CCC1=O)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F

InChI

InChI=1S/C23H25FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-5,11-14H,6-10,15H2,1-2H3/q+1