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

Systemtic Name: [1-(2-chloranyl-5-methyl-4-phenoxy-phenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-triflyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H19ClF3N2O3S+ MolecularWeight: 459.88967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC2=CC=CC=C2)Cl)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1OC2=CC=CC=C2)Cl)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H19ClF3N2O3S/c1-14-10-18(17(21)11-19(14)29-16-7-3-2-4-8-16)26(30(27,28)20(22,23)24)9-5-6-15(12-25)13-26/h2-8,10-11,13H,9,12,25H2,1H3/q+1