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

Systemtic Name: 6-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium; methyl sulfate Openeye Name: 6-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium; methyl sulfate CAS Name: 6-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-1-methylquinolin-1-ium; methyl sulfate IUPAC Name: 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-1-ium; methyl sulfate Traditional Name: 6-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium; methyl sulfate Formula: C24H28FNO7S MolecularWeight: 493.545023

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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.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H25FNO3.CH4O4S/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;1-5-6(2,3)4/h3-6,9,12-15H,7-8,10-11,16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1