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

Systemtic Name: [1-(2-methyl-4-phenoxy-phenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(2-methyl-4-phenoxy-phenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(2-methyl-4-phenoxyphenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(2-methyl-4-phenoxyphenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(2-methyl-4-phenoxy-phenyl)-1-triflyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H20F3N2O3S+ MolecularWeight: 425.44461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC=CC=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC=CC=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H20F3N2O3S/c1-15-12-18(28-17-7-3-2-4-8-17)9-10-19(15)25(29(26,27)20(21,22)23)11-5-6-16(13-24)14-25/h2-10,12,14H,11,13,24H2,1H3/q+1