[5-cyanoimino-3-(1-propylpyridin-1-ium-2-yl)-2-pyridin-2-yl-benzo[g]quinoxalin-10-ylidene]cyanamide; tris(fluoranyl)methanesulfonate

Systemtic Name: [5-cyanoimino-3-(1-propylpyridin-1-ium-2-yl)-2-pyridin-2-yl-benzo[g]quinoxalin-10-ylidene]cyanamide; tris(fluoranyl)methanesulfonate Openeye Name: [5-cyanoimino-3-(1-propylpyridin-1-ium-2-yl)-2-(2-pyridyl)benzo[g]quinoxalin-10-ylidene]cyanamide; trifluoromethanesulfonate CAS Name: [5-cyanoimino-3-(1-propyl-2-pyridin-1-iumyl)-2-(2-pyridinyl)-10-benzo[g]quinoxalinylidene]cyanamide; trifluoromethanesulfonate IUPAC Name: [5-cyanoimino-3-(1-propylpyridin-1-ium-2-yl)-2-pyridin-2-ylbenzo[g]quinoxalin-10-ylidene]cyanamide; trifluoromethanesulfonate Traditional Name: [5-cyanoimino-3-(1-propylpyridin-1-ium-2-yl)-2-(2-pyridyl)benzo[g]quinoxalin-10-ylidene]cyanamide triflate Formula: C28H19F3N8O3S MolecularWeight: 604.56247

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC=C1C2=C(N=C3C(=N2)C(=NC#N)C4=CC=CC=C4C3=NC#N)C5=CC=CC=N5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+]1=CC=CC=C1C2=C(N=C3C(=N2)C(=NC#N)C4=CC=CC=C4C3=NC#N)C5=CC=CC=N5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C27H19N8.CHF3O3S/c1-2-14-35-15-8-6-12-21(35)25-24(20-11-5-7-13-30-20)33-26-22(31-16-28)18-9-3-4-10-19(18)23(32-17-29)27(26)34-25;2-1(3,4)8(5,6)7/h3-13,15H,2,14H2,1H3;(H,5,6,7)/q+1;/p-1