5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole; tris(fluoranyl)methanesulfonate

Systemtic Name: 5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole; tris(fluoranyl)methanesulfonate Openeye Name: 5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole; trifluoromethanesulfonate CAS Name: 5-methyl-2-(1-methyl-5-pyrimidin-1-iumyl)-1,3-benzoxazole; trifluoromethanesulfonate IUPAC Name: 5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole; trifluoromethanesulfonate Traditional Name: 5-methyl-2-(1-methylpyrimidin-1-ium-5-yl)-1,3-benzoxazole triflate Formula: C14H12F3N3O4S MolecularWeight: 375.32299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CN=C[N+](=C3)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CN=C[N+](=C3)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12N3O.CHF3O3S/c1-9-3-4-12-11(5-9)15-13(17-12)10-6-14-8-16(2)7-10;2-1(3,4)8(5,6)7/h3-8H,1-2H3;(H,5,6,7)/q+1;/p-1