1-(5-bromanyl-1H-indol-3-yl)-7-fluoranyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(5-bromanyl-1H-indol-3-yl)-7-fluoranyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-(5-bromo-1H-indol-3-yl)-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 1-(5-bromo-1H-indol-3-yl)-7-fluoro-3-(4-methoxyphenyl)-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 1-(5-bromo-1H-indol-3-yl)-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [1-(5-bromo-1H-indol-3-yl)-7-fluoro-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]amine triflate Formula: C25H18BrF4N3O4S MolecularWeight: 612.390733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](C(=C3C=C(C=CC3=C2)F)C4=CNC5=C4C=C(C=C5)Br)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=C4C=C(C=C5)Br)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H17BrFN3O.CHF3O3S/c1-30-18-7-3-14(4-8-18)23-10-15-2-6-17(26)12-19(15)24(29(23)27)21-13-28-22-9-5-16(25)11-20(21)22;2-1(3,4)8(5,6)7/h2-13H,27H2,1H3;(H,5,6,7)