1-(5-bromanyl-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(5-bromanyl-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-(5-bromo-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 1-(5-bromo-1H-indol-3-yl)-3-phenyl-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 1-(5-bromo-1H-indol-3-yl)-3-phenylisoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [1-(5-bromo-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-yl]amine triflate Formula: C24H17BrF3N3O3S MolecularWeight: 564.37429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+]2N)C4=CNC5=C4C=C(C=C5)Br.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+]2N)C4=CNC5=C4C=C(C=C5)Br.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H16BrN3.CHF3O3S/c24-17-10-11-21-19(13-17)20(14-26-21)23-18-9-5-4-8-16(18)12-22(27(23)25)15-6-2-1-3-7-15;2-1(3,4)8(5,6)7/h1-14H,25H2;(H,5,6,7)