[1-(3-chloranyl-4-phenoxy-phenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-(3-chloranyl-4-phenoxy-phenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(3-chloro-4-phenoxy-phenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(3-chloro-4-phenoxyphenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(3-chloro-4-phenoxyphenyl)-1-(trifluoromethylsulfonyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(3-chloro-4-phenoxy-phenyl)-1-triflyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C19H17ClF3N2O3S+ MolecularWeight: 445.86309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF3N2O3S/c20-17-11-15(8-9-18(17)28-16-6-2-1-3-7-16)25(29(26,27)19(21,22)23)10-4-5-14(12-24)13-25/h1-9,11,13H,10,12,24H2/q+1