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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+]2N)C4=CNC5=CC=CC=C54.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+]2N)C4=CNC5=CC=CC=C54.C(F)(F)(F)S(=O)(=O)[O-]

InChI

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