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

Systemtic Name: 2-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium Openeye Name: 2-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium CAS Name: 2-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-1-methylquinolin-1-ium IUPAC Name: 2-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-1-ium Traditional Name: 2-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium Formula: C23H25FNO3+ MolecularWeight: 382.447903

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F

InChI

InChI=1S/C23H25FNO3/c1-25-20(8-7-17-5-3-4-6-22(17)25)16-28-21-14-18(13-19(24)15-21)23(26-2)9-11-27-12-10-23/h3-8,13-15H,9-12,16H2,1-2H3/q+1