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

Systemtic Name: [1-cyclopropylsulfonyl-1-[4-(2-fluoranyl-6-methoxy-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-cyclopropylsulfonyl-1-[4-(2-fluoro-6-methoxy-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-cyclopropylsulfonyl-1-[4-(2-fluoro-6-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-cyclopropylsulfonyl-1-[4-(2-fluoro-6-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-cyclopropylsulfonyl-1-[4-(2-fluoro-6-methoxy-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H24FN2O4S+ MolecularWeight: 431.500363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)F)OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

Isomeric SMILES

COC1=C(C(=CC=C1)F)OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

InChI

InChI=1S/C22H24FN2O4S/c1-28-21-6-2-5-20(23)22(21)29-18-9-7-17(8-10-18)25(30(26,27)19-11-12-19)13-3-4-16(14-24)15-25/h2-10,15,19H,11-14,24H2,1H3/q+1