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

Systemtic Name: [1-[4-(2-phenylmethoxyphenoxy)phenyl]-1-[2,2,2-tris(fluoranyl)ethylsulfonyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(2-benzyloxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(2-phenylmethoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(2-phenylmethoxyphenoxy)phenyl]-1-(2,2,2-trifluoroethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(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=C(C=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=C(C=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(16-6-9-22(17-31)18-32)23-12-14-24(15-13-23)36-26-11-5-4-10-25(26)35-19-21-7-2-1-3-8-21/h1-15,18H,16-17,19-20,31H2/q+1