[1-[3-(2-phenylmethoxyphenoxy)phenyl]-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[3-(2-phenylmethoxyphenoxy)phenyl]-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[3-(2-benzyloxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[3-(2-phenylmethoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[3-(2-phenylmethoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[3-(2-benzoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C27H26F3N2O4S+ MolecularWeight: 531.56655

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C[N+]1(C2=CC(=CC=C2)OC3=CC=CC=C3OCC4=CC=CC=C4)S(=O)(=O)CC(F)(F)F)CN

Isomeric SMILES

C1C=CC(=C[N+]1(C2=CC(=CC=C2)OC3=CC=CC=C3OCC4=CC=CC=C4)S(=O)(=O)CC(F)(F)F)CN

InChI

InChI=1S/C27H26F3N2O4S/c28-27(29,30)20-37(33,34)32(15-7-10-22(17-31)18-32)23-11-6-12-24(16-23)36-26-14-5-4-13-25(26)35-19-21-8-2-1-3-9-21/h1-14,16,18H,15,17,19-20,31H2/q+1