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

Systemtic Name: [1-[4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-4-yl]methanamine Openeye Name: [1-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-4-yl]methanamine CAS Name: [1-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-4-yl]methanamine IUPAC Name: [1-[4-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-4-yl]methanamine Traditional Name: [1-[4-(2-isopropyl-5-methyl-phenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-4-yl]methylamine Formula: C24H28F3N2O3S+ MolecularWeight: 481.55093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28F3N2O3S/c1-17(2)22-9-4-18(3)14-23(22)32-21-7-5-20(6-8-21)29(12-10-19(15-28)11-13-29)33(30,31)16-24(25,26)27/h4-12,14,17H,13,15-16,28H2,1-3H3/q+1