2-methyl-5-nitro-isoquinolin-2-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-methyl-5-nitro-isoquinolin-2-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-methyl-5-nitro-isoquinolin-2-ium; trifluoromethanesulfonate CAS Name: 2-methyl-5-nitroisoquinolin-2-ium; trifluoromethanesulfonate IUPAC Name: 2-methyl-5-nitroisoquinolin-2-ium; trifluoromethanesulfonate Traditional Name: 2-methyl-5-nitro-isoquinolin-2-ium triflate Formula: C11H9F3N2O5S MolecularWeight: 338.25977

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H9N2O2.CHF3O3S/c1-11-6-5-9-8(7-11)3-2-4-10(9)12(13)14;2-1(3,4)8(5,6)7/h2-7H,1H3;(H,5,6,7)/q+1;/p-1