1-methyl-1,2-diphenyl-indol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methyl-1,2-diphenyl-indol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methyl-1,2-diphenyl-indol-1-ium; trifluoromethanesulfonate CAS Name: 1-methyl-1,2-diphenylindol-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methyl-1,2-diphenylindol-1-ium; trifluoromethanesulfonate Traditional Name: 1-methyl-1,2-diphenyl-indol-1-ium triflate Formula: C22H18F3NO3S MolecularWeight: 433.44343

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=CC=CC=C2C=C1C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(C2=CC=CC=C2C=C1C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H18N.CHF3O3S/c1-22(19-13-6-3-7-14-19)20-15-9-8-12-18(20)16-21(22)17-10-4-2-5-11-17;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1