1,3,3-trimethyl-2-(2-phenylethynyl)indol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,3,3-trimethyl-2-(2-phenylethynyl)indol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 1,3,3-trimethyl-2-(2-phenylethynyl)indol-1-ium CAS Name: trifluoromethanesulfonate; 1,3,3-trimethyl-2-(2-phenylethynyl)indol-1-ium IUPAC Name: trifluoromethanesulfonate; 1,3,3-trimethyl-2-(2-phenylethynyl)indol-1-ium Traditional Name: 1,3,3-trimethyl-2-(2-phenylethynyl)indol-1-ium triflate Formula: C20H18F3NO3S MolecularWeight: 409.42203

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C#CC3=CC=CC=C3)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1C#CC3=CC=CC=C3)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H18N.CHF3O3S/c1-19(2)16-11-7-8-12-17(16)20(3)18(19)14-13-15-9-5-4-6-10-15;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1