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

Systemtic Name: 3-butyl-7-fluoranyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 3-butyl-7-fluoro-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 3-butyl-7-fluoro-1-(1H-indol-3-yl)-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 3-butyl-7-fluoro-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [3-butyl-7-fluoro-1-(1H-indol-3-yl)isoquinolin-2-ium-2-yl]amine triflate Formula: C22H21F4N3O3S MolecularWeight: 483.479053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=C2C=C(C=CC2=C1)F)C3=CNC4=CC=CC=C43)N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=[N+](C(=C2C=C(C=CC2=C1)F)C3=CNC4=CC=CC=C43)N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H20FN3.CHF3O3S/c1-2-3-6-16-11-14-9-10-15(22)12-18(14)21(25(16)23)19-13-24-20-8-5-4-7-17(19)20;2-1(3,4)8(5,6)7/h4-5,7-13H,2-3,6,23H2,1H3;(H,5,6,7)