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

Systemtic Name: 1-[2,3-diazido-4,5,6-tris[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]-N,N-dimethyl-pyridin-1-ium-4-amine; tris(fluoranyl)methanesulfonate Openeye Name: 1-[2,3-diazido-4,5,6-tris[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]-N,N-dimethyl-pyridin-1-ium-4-amine; trifluoromethanesulfonate CAS Name: 1-[2,3-diazido-4,5,6-tris[4-(dimethylamino)-1-pyridin-1-iumyl]phenyl]-N,N-dimethyl-4-pyridin-1-iumamine; trifluoromethanesulfonate IUPAC Name: 1-[2,3-diazido-4,5,6-tris[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]-N,N-dimethylpyridin-1-ium-4-amine; trifluoromethanesulfonate Traditional Name: [1-[2,3-diazido-4,5,6-tris[4-(dimethylamino)pyridin-1-ium-1-yl]phenyl]pyridin-1-ium-4-yl]-dimethyl-amine tetratriflate Formula: C38H40F12N14O12S4 MolecularWeight: 1241.051638

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=C(C(=C(C(=C2N=[N+]=[N-])N=[N+]=[N-])[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.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(=C2N=[N+]=[N-])N=[N+]=[N-])[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.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/C34H40N14.4CHF3O3S/c1-41(2)25-9-17-45(18-10-25)31-29(37-39-35)30(38-40-36)32(46-19-11-26(12-20-46)42(3)4)34(48-23-15-28(16-24-48)44(7)8)33(31)47-21-13-27(14-22-47)43(5)6;4*2-1(3,4)8(5,6)7/h9-24H,1-8H3;4*(H,5,6,7)/q+4;;;;/p-4