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

Systemtic Name: 7-fluoranyl-1-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 7-fluoro-1-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 7-fluoro-1-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 7-fluoro-1-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [7-fluoro-1-(4-methoxy-1H-indol-3-yl)-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]amine triflate Formula: C26H21F4N3O5S MolecularWeight: 563.520653

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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(=CC=C5)OC)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(=CC=C5)OC)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H20FN3O2.CHF3O3S/c1-30-18-10-7-15(8-11-18)22-12-16-6-9-17(26)13-19(16)25(29(22)27)20-14-28-21-4-3-5-23(31-2)24(20)21;2-1(3,4)8(5,6)7/h3-14H,27H2,1-2H3;(H,5,6,7)