[1-(2-chloranyl-5-methyl-4-phenoxy-phenyl)-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-(2-chloranyl-5-methyl-4-phenoxy-phenyl)-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(2-chloro-5-methyl-4-phenoxyphenyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(2-chloro-5-methyl-4-phenoxy-phenyl)-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H21ClF3N2O3S+ MolecularWeight: 473.91625

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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)CC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClF3N2O3S/c1-15-10-19(18(22)11-20(15)30-17-7-3-2-4-8-17)27(9-5-6-16(12-26)13-27)31(28,29)14-21(23,24)25/h2-8,10-11,13H,9,12,14,26H2,1H3/q+1