tris[3-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-methyl-amino]propyl]-methyl-azanium

Systemtic Name: tris[3-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-methyl-amino]propyl]-methyl-azanium Openeye Name: tris[3-[4-(1,3-dimethylimidazol-1-ium-2-yl)azo-N-methyl-anilino]propyl]-methyl-ammonium CAS Name: tris[3-[4-[(1,3-dimethyl-2-imidazol-1-iumyl)azo]-N-methylanilino]propyl]-methylammonium IUPAC Name: tris[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylanilino]propyl]-methylazanium Traditional Name: tris[3-[4-(1,3-dimethylimidazol-1-ium-2-yl)azo-N-methyl-anilino]propyl]-methyl-ammonium Formula: C46H66N16+4 MolecularWeight: 843.12344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)CCC[N+](C)(CCCN(C)C3=CC=C(C=C3)N=NC4=[N+](C=CN4C)C)CCCN(C)C5=CC=C(C=C5)N=NC6=[N+](C=CN6C)C)C

Isomeric SMILES

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(C)CCC[N+](C)(CCCN(C)C3=CC=C(C=C3)N=NC4=[N+](C=CN4C)C)CCCN(C)C5=CC=C(C=C5)N=NC6=[N+](C=CN6C)C)C

InChI

InChI=1S/C46H66N16/c1-53(41-20-14-38(15-21-41)47-50-44-56(4)29-30-57(44)5)26-11-35-62(10,36-12-27-54(2)42-22-16-39(17-23-42)48-51-45-58(6)31-32-59(45)7)37-13-28-55(3)43-24-18-40(19-25-43)49-52-46-60(8)33-34-61(46)9/h14-25,29-34H,11-13,26-28,35-37H2,1-10H3/q+4