4-[[3-(trifluoromethyl)phenyl]amino]pyridin-1-ium-3-sulfonate

Systemtic Name: 4-[[3-(trifluoromethyl)phenyl]amino]pyridin-1-ium-3-sulfonate Openeye Name: 4-[3-(trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate CAS Name: 4-[3-(trifluoromethyl)anilino]-3-pyridin-1-iumsulfonate IUPAC Name: 4-[3-(trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate Traditional Name: 4-[3-(trifluoromethyl)anilino]pyridin-1-ium-3-sulfonate Formula: C12H9F3N2O3S MolecularWeight: 318.27167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=[NH+]C=C2)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=[NH+]C=C2)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H9F3N2O3S/c13-12(14,15)8-2-1-3-9(6-8)17-10-4-5-16-7-11(10)21(18,19)20/h1-7H,(H,16,17)(H,18,19,20)