[1-[4-(2-methoxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(2-methoxyphenoxy)phenyl]-1-triflyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H20F3N2O4S+ MolecularWeight: 441.44401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H20F3N2O4S/c1-28-18-6-2-3-7-19(18)29-17-10-8-16(9-11-17)25(30(26,27)20(21,22)23)12-4-5-15(13-24)14-25/h2-11,14H,12-13,24H2,1H3/q+1