5-methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 5-methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 5-methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium; trifluoromethanesulfonate CAS Name: 5-methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium; trifluoromethanesulfonate IUPAC Name: 5-methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium; trifluoromethanesulfonate Traditional Name: 5-methoxy-1-methyl-2-phenyl-4H-pyrazol[1,5-a]indol-1-ium triflate Formula: C19H17F3N2O4S MolecularWeight: 426.40949

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C2N1C3=C(C2)C(=CC=C3)OC)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=C2N1C3=C(C2)C(=CC=C3)OC)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H17N2O.CHF3O3S/c1-19-17(13-7-4-3-5-8-13)12-14-11-15-16(20(14)19)9-6-10-18(15)21-2;2-1(3,4)8(5,6)7/h3-10,12H,11H2,1-2H3;(H,5,6,7)/q+1;/p-1