5-bromanyl-2-methyl-8-nitro-isoquinolin-2-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 5-bromanyl-2-methyl-8-nitro-isoquinolin-2-ium; tris(fluoranyl)methanesulfonate Openeye Name: 5-bromo-2-methyl-8-nitro-isoquinolin-2-ium; trifluoromethanesulfonate CAS Name: 5-bromo-2-methyl-8-nitroisoquinolin-2-ium; trifluoromethanesulfonate IUPAC Name: 5-bromo-2-methyl-8-nitroisoquinolin-2-ium; trifluoromethanesulfonate Traditional Name: 5-bromo-2-methyl-8-nitro-isoquinolin-2-ium triflate Formula: C11H8BrF3N2O5S MolecularWeight: 417.15583

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=CC(=C2C=C1)Br)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC2=C(C=CC(=C2C=C1)Br)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H8BrN2O2.CHF3O3S/c1-12-5-4-7-8(6-12)10(13(14)15)3-2-9(7)11;2-1(3,4)8(5,6)7/h2-6H,1H3;(H,5,6,7)/q+1;/p-1