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

Systemtic Name: 2-[[3-fluoranyl-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium; methyl sulfate Openeye Name: 2-[[3-fluoro-5-(4-methoxytetrahydropyran-4-yl)phenoxy]methyl]-1-methyl-quinolin-1-ium; methyl sulfate CAS Name: 2-[[3-fluoro-5-(4-methoxy-4-oxanyl)phenoxy]methyl]-1-methylquinolin-1-ium; methyl sulfate IUPAC Name: 2-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-1-ium; methyl sulfate Traditional Name: 2-[[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=C(C=CC2=CC=CC=C21)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H25FNO3.CH4O4S/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;1-5-6(2,3)4/h3-8,13-15H,9-12,16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1