[1-ethylsulfonyl-1-[4-(2-fluoranyl-4-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-(2-fluoranyl-4-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(2-fluoro-4-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(2-fluoro-4-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(2-fluoro-4-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-(2-fluoro-4-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H24FN2O3S+ MolecularWeight: 403.490263

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C)F

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C)F

InChI

InChI=1S/C21H24FN2O3S/c1-3-28(25,26)24(12-4-5-17(14-23)15-24)18-7-9-19(10-8-18)27-21-11-6-16(2)13-20(21)22/h4-11,13,15H,3,12,14,23H2,1-2H3/q+1