2-[3-[[2-azanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolate

Systemtic Name: 2-[3-[[2-azanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolate Openeye Name: 2-[3-[[2-amino-6-(trifluoromethyl)-3-pyridyl]methyl]-4-methyl-thiazol-3-ium-5-yl]ethanolate CAS Name: 2-[3-[[2-amino-6-(trifluoromethyl)-3-pyridinyl]methyl]-4-methyl-5-thiazol-3-iumyl]ethanolate IUPAC Name: 2-[3-[[2-amino-6-(trifluoromethyl)pyridin-3-yl]methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolate Traditional Name: 2-[3-[[2-amino-6-(trifluoromethyl)-3-pyridyl]methyl]-4-methyl-thiazol-3-ium-5-yl]ethanolate Formula: C13H14F3N3OS MolecularWeight: 317.32997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=C(N=C(C=C2)C(F)(F)F)N)CC[O-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=C(N=C(C=C2)C(F)(F)F)N)CC[O-]

InChI

InChI=1S/C13H14F3N3OS/c1-8-10(4-5-20)21-7-19(8)6-9-2-3-11(13(14,15)16)18-12(9)17/h2-3,7H,4-6H2,1H3,(H2,17,18)