1-(2,4-dimethoxyphenyl)-3-methoxy-2-methyl-1H-isoindol-2-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(2,4-dimethoxyphenyl)-3-methoxy-2-methyl-1H-isoindol-2-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(2,4-dimethoxyphenyl)-3-methoxy-2-methyl-1H-isoindol-2-ium; trifluoromethanesulfonate CAS Name: 1-(2,4-dimethoxyphenyl)-3-methoxy-2-methyl-1H-isoindol-2-ium; trifluoromethanesulfonate IUPAC Name: 1-(2,4-dimethoxyphenyl)-3-methoxy-2-methyl-1H-isoindol-2-ium; trifluoromethanesulfonate Traditional Name: 1-(2,4-dimethoxyphenyl)-3-methoxy-2-methyl-1H-isoindol-2-ium triflate Formula: C19H20F3NO6S MolecularWeight: 447.42541

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C1C3=C(C=C(C=C3)OC)OC)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C1C3=C(C=C(C=C3)OC)OC)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H20NO3.CHF3O3S/c1-19-17(13-7-5-6-8-14(13)18(19)22-4)15-10-9-12(20-2)11-16(15)21-3;2-1(3,4)8(5,6)7/h5-11,17H,1-4H3;(H,5,6,7)/q+1;/p-1