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

Systemtic Name: 1-(1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 1-(1H-indol-3-yl)-3-phenyl-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 1-(1H-indol-3-yl)-3-phenylisoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [1-(1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-yl]amine triflate Formula: C24H18F3N3O3S MolecularWeight: 485.47823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+]2N)C4=CNC5=CC=CC=C54.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+]2N)C4=CNC5=CC=CC=C54.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H17N3.CHF3O3S/c24-26-22(16-8-2-1-3-9-16)14-17-10-4-5-11-18(17)23(26)20-15-25-21-13-7-6-12-19(20)21;2-1(3,4)8(5,6)7/h1-15H,24H2;(H,5,6,7)