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

Systemtic Name: 6-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium iodide Openeye Name: 6-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium iodide CAS Name: 6-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-1-methylquinolin-1-ium iodide IUPAC Name: 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-1-ium iodide Traditional Name: 6-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium iodide Formula: C23H25FINO3 MolecularWeight: 509.352373

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC(=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F.[I-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC(=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F.[I-]

InChI

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