1-[2-azido-3,4,5,6-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]-N,N-dimethyl-pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-[2-azido-3,4,5,6-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]-N,N-dimethyl-pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-[2-azido-3,4,5,6-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]-N,N-dimethyl-pyridin-1-ium-4-amine; trifluoromethanesulfonate CAS Name: 1-[2-azido-3,4,5,6-tetrakis[4-(dimethylamino)-1-pyridin-1-iumyl]phenyl]-N,N-dimethyl-4-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: 1-[2-azido-3,4,5,6-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]-N,N-dimethylpyridin-1-ium-4-amine; trifluoromethanesulfonate Traditional Name: [1-[2-azido-3,4,5,6-tetrakis[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]pyridin-1-ium-4-yl]-dimethyl-amine pentatriflate Formula: C46H50F15N13O15S5 MolecularWeight: 1470.268348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=C(C(=C(C(=C2[N+]3=CC=C(C=C3)N(C)C)[N+]4=CC=C(C=C4)N(C)C)[N+]5=CC=C(C=C5)N(C)C)[N+]6=CC=C(C=C6)N(C)C)N=[N+]=[N-].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(C(=C2[N+]3=CC=C(C=C3)N(C)C)[N+]4=CC=C(C=C4)N(C)C)[N+]5=CC=C(C=C5)N(C)C)[N+]6=CC=C(C=C6)N(C)C)N=[N+]=[N-].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/C41H50N13.5CHF3O3S/c1-45(2)31-11-21-50(22-12-31)37-36(43-44-42)38(51-23-13-32(14-24-51)46(3)4)40(53-27-17-34(18-28-53)48(7)8)41(54-29-19-35(20-30-54)49(9)10)39(37)52-25-15-33(16-26-52)47(5)6;5*2-1(3,4)8(5,6)7/h11-30H,1-10H3;5*(H,5,6,7)/q+5;;;;;/p-5