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

Systemtic Name: [1-[4-phenoxy-3-(trifluoromethyl)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-phenoxy-3-(trifluoromethyl)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-phenoxy-3-(trifluoromethyl)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-phenoxy-3-(trifluoromethyl)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-phenoxy-3-(trifluoromethyl)phenyl]-1-propylsulfonyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H24F3N2O3S+ MolecularWeight: 453.49777

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=C(C=C2)OC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H24F3N2O3S/c1-2-13-31(28,29)27(12-6-7-17(15-26)16-27)18-10-11-21(20(14-18)22(23,24)25)30-19-8-4-3-5-9-19/h3-11,14,16H,2,12-13,15,26H2,1H3/q+1