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

Systemtic Name: [1-[4-(4-phenylmethoxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-benzyloxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(4-phenylmethoxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-phenylmethoxyphenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-benzoxyphenoxy)phenyl]-1-triflyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C26H24F3N2O4S+ MolecularWeight: 517.53997

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C[N+]1(C2=CC=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)S(=O)(=O)C(F)(F)F)CN

Isomeric SMILES

C1C=CC(=C[N+]1(C2=CC=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4)S(=O)(=O)C(F)(F)F)CN

InChI

InChI=1S/C26H24F3N2O4S/c27-26(28,29)36(32,33)31(16-4-7-21(17-30)18-31)22-8-10-24(11-9-22)35-25-14-12-23(13-15-25)34-19-20-5-2-1-3-6-20/h1-15,18H,16-17,19,30H2/q+1