1-(1,6-dimethylpyridin-1-ium-2-yl)benzotriazole; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1,6-dimethylpyridin-1-ium-2-yl)benzotriazole; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1,6-dimethylpyridin-1-ium-2-yl)benzotriazole; trifluoromethanesulfonate CAS Name: 1-(1,6-dimethyl-2-pyridin-1-iumyl)benzotriazole; trifluoromethanesulfonate IUPAC Name: 1-(1,6-dimethylpyridin-1-ium-2-yl)benzotriazole; trifluoromethanesulfonate Traditional Name: 1-(1,6-dimethylpyridin-1-ium-2-yl)benzotriazole triflate Formula: C14H13F3N4O3S MolecularWeight: 374.33823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC=C1)N2C3=CC=CC=C3N=N2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C(=CC=C1)N2C3=CC=CC=C3N=N2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13N4.CHF3O3S/c1-10-6-5-9-13(16(10)2)17-12-8-4-3-7-11(12)14-15-17;2-1(3,4)8(5,6)7/h3-9H,1-2H3;(H,5,6,7)/q+1;/p-1