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

Systemtic Name: 3-butyl-7-fluoranyl-1-(4-methoxy-1H-indol-3-yl)isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 3-butyl-7-fluoro-1-(4-methoxy-1H-indol-3-yl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 3-butyl-7-fluoro-1-(4-methoxy-1H-indol-3-yl)-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 3-butyl-7-fluoro-1-(4-methoxy-1H-indol-3-yl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [3-butyl-7-fluoro-1-(4-methoxy-1H-indol-3-yl)isoquinolin-2-ium-2-yl]amine triflate Formula: C23H23F4N3O4S MolecularWeight: 513.505033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=C2C=C(C=CC2=C1)F)C3=CNC4=C3C(=CC=C4)OC)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=[N+](C(=C2C=C(C=CC2=C1)F)C3=CNC4=C3C(=CC=C4)OC)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H22FN3O.CHF3O3S/c1-3-4-6-16-11-14-9-10-15(23)12-17(14)22(26(16)24)18-13-25-19-7-5-8-20(27-2)21(18)19;2-1(3,4)8(5,6)7/h5,7-13H,3-4,6,24H2,1-2H3;(H,5,6,7)