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

Systemtic Name: tris[3-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-ethyl-amino]propyl]-ethyl-azanium Openeye Name: tris[3-[4-(1,3-dimethylimidazol-1-ium-2-yl)azo-N-ethyl-anilino]propyl]-ethyl-ammonium CAS Name: tris[3-[4-[(1,3-dimethyl-2-imidazol-1-iumyl)azo]-N-ethylanilino]propyl]-ethylammonium IUPAC Name: tris[3-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-ethylanilino]propyl]-ethylazanium Traditional Name: tris[3-[4-(1,3-dimethylimidazol-1-ium-2-yl)azo-N-ethyl-anilino]propyl]-ethyl-ammonium Formula: C50H74N16+4 MolecularWeight: 899.22976

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC[N+](CC)(CCCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C=CN2C)C)CCCN(CC)C3=CC=C(C=C3)N=NC4=[N+](C=CN4C)C)C5=CC=C(C=C5)N=NC6=[N+](C=CN6C)C

Isomeric SMILES

CCN(CCC[N+](CC)(CCCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C=CN2C)C)CCCN(CC)C3=CC=C(C=C3)N=NC4=[N+](C=CN4C)C)C5=CC=C(C=C5)N=NC6=[N+](C=CN6C)C

InChI

InChI=1S/C50H74N16/c1-11-63(45-24-18-42(19-25-45)51-54-48-57(5)33-34-58(48)6)30-15-39-66(14-4,40-16-31-64(12-2)46-26-20-43(21-27-46)52-55-49-59(7)35-36-60(49)8)41-17-32-65(13-3)47-28-22-44(23-29-47)53-56-50-61(9)37-38-62(50)10/h18-29,33-38H,11-17,30-32,39-41H2,1-10H3/q+4