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

Systemtic Name: tris[3-[[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]phenyl]-ethyl-amino]propyl]-ethyl-azanium Openeye Name: tris[3-[4-(1,3-diethylimidazol-1-ium-2-yl)azo-N-ethyl-anilino]propyl]-ethyl-ammonium CAS Name: tris[3-[4-[(1,3-diethyl-2-imidazol-1-iumyl)azo]-N-ethylanilino]propyl]-ethylammonium IUPAC Name: tris[3-[4-[(1,3-diethylimidazol-1-ium-2-yl)diazenyl]-N-ethylanilino]propyl]-ethylazanium Traditional Name: tris[3-[4-(1,3-diethylimidazol-1-ium-2-yl)azo-N-ethyl-anilino]propyl]-ethyl-ammonium Formula: C56H86N16+4 MolecularWeight: 983.38924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(CC)CCC[N+](CC)(CCCN(CC)C3=CC=C(C=C3)N=NC4=[N+](C=CN4CC)CC)CCCN(CC)C5=CC=C(C=C5)N=NC6=[N+](C=CN6CC)CC)CC

Isomeric SMILES

CCN1C=C[N+](=C1N=NC2=CC=C(C=C2)N(CC)CCC[N+](CC)(CCCN(CC)C3=CC=C(C=C3)N=NC4=[N+](C=CN4CC)CC)CCCN(CC)C5=CC=C(C=C5)N=NC6=[N+](C=CN6CC)CC)CC

InChI

InChI=1S/C56H86N16/c1-11-63(51-30-24-48(25-31-51)57-60-54-66(14-4)39-40-67(54)15-5)36-21-45-72(20-10,46-22-37-64(12-2)52-32-26-49(27-33-52)58-61-55-68(16-6)41-42-69(55)17-7)47-23-38-65(13-3)53-34-28-50(29-35-53)59-62-56-70(18-8)43-44-71(56)19-9/h24-35,39-44H,11-23,36-38,45-47H2,1-10H3/q+4