1-(6-methoxy-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(6-methoxy-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-(6-methoxy-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 1-(6-methoxy-1H-indol-3-yl)-3-phenyl-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 1-(6-methoxy-1H-indol-3-yl)-3-phenylisoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [1-(6-methoxy-1H-indol-3-yl)-3-phenyl-isoquinolin-2-ium-2-yl]amine triflate Formula: C25H20F3N3O4S MolecularWeight: 515.50421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2)C3=[N+](C(=CC4=CC=CC=C43)C5=CC=CC=C5)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=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/c1-28-18-11-12-20-21(15-26-22(20)14-18)24-19-10-6-5-9-17(19)13-23(27(24)25)16-7-3-2-4-8-16;2-1(3,4)8(5,6)7/h2-15H,25H2,1H3;(H,5,6,7)