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

Systemtic Name: [1-[4-(4-nitrophenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-nitrophenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(4-nitrophenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(4-nitrophenoxy)phenyl]-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-nitrophenoxy)phenyl]-1-triflyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C19H17F3N3O5S+ MolecularWeight: 456.41559

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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)[N+](=O)[O-])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)[N+](=O)[O-])S(=O)(=O)C(F)(F)F)CN

InChI

InChI=1S/C19H17F3N3O5S/c20-19(21,22)31(28,29)25(11-1-2-14(12-23)13-25)16-5-9-18(10-6-16)30-17-7-3-15(4-8-17)24(26)27/h1-10,13H,11-12,23H2/q+1