1-(4-methoxy-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-methoxy-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-methoxy-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 1-(4-methoxy-1H-indol-3-yl)-3-phenyl-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 1-(4-methoxy-1H-indol-3-yl)-3-phenylisoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [1-(4-methoxy-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-yl]amine triflate Formula: C25H20F3N3O4S MolecularWeight: 515.50421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CN2)C3=[N+](C(=CC4=CC=CC=C43)C5=CC=CC=C5)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=CC2=C1C(=CN2)C3=[N+](C(=CC4=CC=CC=C43)C5=CC=CC=C5)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H19N3O.CHF3O3S/c1-28-22-13-7-12-20-23(22)19(15-26-20)24-18-11-6-5-10-17(18)14-21(27(24)25)16-8-3-2-4-9-16;2-1(3,4)8(5,6)7/h2-15H,25H2,1H3;(H,5,6,7)