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

Systemtic Name: 2-(1-methyl-4H-pyrazolo[1,5-a]indol-1-ium-4-yl)ethanenitrile; tris(fluoranyl)methanesulfonate Openeye Name: 2-(1-methyl-4H-pyrazolo[1,5-a]indol-1-ium-4-yl)acetonitrile; trifluoromethanesulfonate CAS Name: 2-(1-methyl-4H-pyrazolo[1,5-a]indol-1-ium-4-yl)acetonitrile; trifluoromethanesulfonate IUPAC Name: 2-(1-methyl-4H-pyrazolo[1,5-a]indol-1-ium-4-yl)acetonitrile; trifluoromethanesulfonate Traditional Name: 2-(1-methyl-4H-pyrazol[1,5-a]indol-1-ium-4-yl)acetonitrile triflate Formula: C14H12F3N3O3S MolecularWeight: 359.32359

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C2N1C3=CC=CC=C3C2CC#N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C2N1C3=CC=CC=C3C2CC#N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12N3.CHF3O3S/c1-15-9-7-13-11(6-8-14)10-4-2-3-5-12(10)16(13)15;2-1(3,4)8(5,6)7/h2-5,7,9,11H,6H2,1H3;(H,5,6,7)/q+1;/p-1