6,7,8,9-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-N,N-dimethyl-pyrido[1,2-a]benzimidazol-3-amine; tris(fluoranyl)methanesulfonate; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 6,7,8,9-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-N,N-dimethyl-pyrido[1,2-a]benzimidazol-3-amine; tris(fluoranyl)methanesulfonate; tris(fluoranyl)methanesulfonic acid Openeye Name: 6,7,8,9-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-N,N-dimethyl-pyrido[1,2-a]benzimidazol-3-amine; trifluoromethanesulfonate; trifluoromethanesulfonic acid CAS Name: 6,7,8,9-tetrakis[4-(dimethylamino)-1-pyridin-1-iumyl]-N,N-dimethyl-3-pyrido[1,2-a]benzimidazolamine; trifluoromethanesulfonate; trifluoromethanesulfonic acid IUPAC Name: 6,7,8,9-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]-N,N-dimethylpyrido[1,2-a]benzimidazol-3-amine; trifluoromethanesulfonate; trifluoromethanesulfonic acid Traditional Name: dimethyl-[6,7,8,9-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]pyrido[1,2-a]benzimidazol-3-yl]amine; triflic acid; tetratriflate Formula: C46H50F15N11O15S5 MolecularWeight: 1442.254948

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=C(C(=C(C3=C2N=C4N3C=CC(=C4)N(C)C)[N+]5=CC=C(C=C5)N(C)C)[N+]6=CC=C(C=C6)N(C)C)[N+]7=CC=C(C=C7)N(C)C.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=C(C(=C(C3=C2N=C4N3C=CC(=C4)N(C)C)[N+]5=CC=C(C=C5)N(C)C)[N+]6=CC=C(C=C6)N(C)C)[N+]7=CC=C(C=C7)N(C)C.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C41H49N11.5CHF3O3S/c1-43(2)30-11-20-48(21-12-30)37-36-38(52-28-19-34(47(9)10)29-35(52)42-36)40(50-24-15-32(16-25-50)45(5)6)41(51-26-17-33(18-27-51)46(7)8)39(37)49-22-13-31(14-23-49)44(3)4;5*2-1(3,4)8(5,6)7/h11-29H,1-10H3;5*(H,5,6,7)/q+4;;;;;/p-4