[1-ethylsulfonyl-1-[4-(2-fluoranyl-6-methoxy-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-(2-fluoranyl-6-methoxy-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(2-fluoro-6-methoxy-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(2-fluoro-6-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(2-fluoro-6-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-(2-fluoro-6-methoxy-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H24FN2O4S+ MolecularWeight: 419.489663

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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=CC=C3F)OC

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=C(C=CC=C3F)OC

InChI

InChI=1S/C21H24FN2O4S/c1-3-29(25,26)24(13-5-6-16(14-23)15-24)17-9-11-18(12-10-17)28-21-19(22)7-4-8-20(21)27-2/h4-12,15H,3,13-14,23H2,1-2H3/q+1