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

Systemtic Name: 3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine; tris(fluoranyl)methanesulfonate Openeye Name: 3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate CAS Name: 3-butyl-1-(1H-indol-3-yl)-2-isoquinolin-2-iumamine; trifluoromethanesulfonate IUPAC Name: 3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-amine; trifluoromethanesulfonate Traditional Name: [3-butyl-1-(1H-indol-3-yl)isoquinolin-2-ium-2-yl]amine triflate Formula: C22H22F3N3O3S MolecularWeight: 465.48859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=[N+]1N)C3=CNC4=CC=CC=C43.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=[N+]1N)C3=CNC4=CC=CC=C43.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21N3.CHF3O3S/c1-2-3-9-16-13-15-8-4-5-10-17(15)21(24(16)22)19-14-23-20-12-7-6-11-18(19)20;2-1(3,4)8(5,6)7/h4-8,10-14H,2-3,9,22H2,1H3;(H,5,6,7)