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

Systemtic Name: 7-fluoranyl-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 7-fluoro-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 7-fluoro-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 7-fluoro-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [7-fluoro-1-(1H-indol-3-yl)-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]amine triflate Formula: C25H19F4N3O4S MolecularWeight: 533.494673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](C(=C3C=C(C=CC3=C2)F)C4=CNC5=CC=CC=C54)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](C(=C3C=C(C=CC3=C2)F)C4=CNC5=CC=CC=C54)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H18FN3O.CHF3O3S/c1-29-18-10-7-15(8-11-18)23-12-16-6-9-17(25)13-20(16)24(28(23)26)21-14-27-22-5-3-2-4-19(21)22;2-1(3,4)8(5,6)7/h2-14H,26H2,1H3;(H,5,6,7)