tris[4-(dioctylamino)phenyl]azanium perchlorate

Systemtic Name: tris[4-(dioctylamino)phenyl]azanium perchlorate Openeye Name: tris[4-(dioctylamino)phenyl]ammonium perchlorate CAS Name: tris[4-(dioctylamino)phenyl]ammonium perchlorate IUPAC Name: tris[4-(dioctylamino)phenyl]azanium perchlorate Traditional Name: tris[4-(dioctylamino)phenyl]ammonium perchlorate Formula: C66H115ClN4O4 MolecularWeight: 1064.0967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=CC=C(C=C1)[NH+](C2=CC=C(C=C2)N(CCCCCCCC)CCCCCCCC)C3=CC=C(C=C3)N(CCCCCCCC)CCCCCCCC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=CC=C(C=C1)[NH+](C2=CC=C(C=C2)N(CCCCCCCC)CCCCCCCC)C3=CC=C(C=C3)N(CCCCCCCC)CCCCCCCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C66H114N4.ClHO4/c1-7-13-19-25-31-37-55-67(56-38-32-26-20-14-8-2)61-43-49-64(50-44-61)70(65-51-45-62(46-52-65)68(57-39-33-27-21-15-9-3)58-40-34-28-22-16-10-4)66-53-47-63(48-54-66)69(59-41-35-29-23-17-11-5)60-42-36-30-24-18-12-6;2-1(3,4)5/h43-54H,7-42,55-60H2,1-6H3;(H,2,3,4,5)