[1-ethylsulfonyl-1-[3-(4-fluoranyl-2-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[3-(4-fluoranyl-2-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-(4-fluoro-2-methyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-(4-fluoro-2-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-(4-fluoro-2-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(4-fluoro-2-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(=CC=C2)OC3=C(C=C(C=C3)F)C

Isomeric SMILES

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

InChI

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