2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-1H-imidazo[4,5-b]pyridin-4-ium Traditional Name: 2-[3-(trifluoromethyl)benzyl]sulfonyl-1H-imidazo[4,5-b]pyridin-4-ium Formula: C14H11F3N3O2S+ MolecularWeight: 342.31625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)C2=NC3=C(N2)C=CC=[NH+]3

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CS(=O)(=O)C2=NC3=C(N2)C=CC=[NH+]3

InChI

InChI=1S/C14H10F3N3O2S/c15-14(16,17)10-4-1-3-9(7-10)8-23(21,22)13-19-11-5-2-6-18-12(11)20-13/h1-7H,8H2,(H,18,19,20)/p+1