tetrakis[heptyl-(4-methylphenyl)amino]phosphanium iodide

Systemtic Name: tetrakis[heptyl-(4-methylphenyl)amino]phosphanium iodide Openeye Name: tetrakis(N-heptyl-4-methyl-anilino)phosphonium iodide CAS Name: tetrakis(N-heptyl-4-methylanilino)phosphonium iodide IUPAC Name: tetrakis(N-heptyl-4-methylanilino)phosphanium iodide Traditional Name: tetrakis(N-heptyl-4-methyl-anilino)phosphonium iodide Formula: C56H88IN4P MolecularWeight: 975.202951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=C(C=C1)C)[P+](N(CCCCCCC)C2=CC=C(C=C2)C)(N(CCCCCCC)C3=CC=C(C=C3)C)N(CCCCCCC)C4=CC=C(C=C4)C.[I-]

Isomeric SMILES

CCCCCCCN(C1=CC=C(C=C1)C)[P+](N(CCCCCCC)C2=CC=C(C=C2)C)(N(CCCCCCC)C3=CC=C(C=C3)C)N(CCCCCCC)C4=CC=C(C=C4)C.[I-]

InChI

InChI=1S/C56H88N4P.HI/c1-9-13-17-21-25-45-57(53-37-29-49(5)30-38-53)61(58(46-26-22-18-14-10-2)54-39-31-50(6)32-40-54,59(47-27-23-19-15-11-3)55-41-33-51(7)34-42-55)60(48-28-24-20-16-12-4)56-43-35-52(8)36-44-56;/h29-44H,9-28,45-48H2,1-8H3;1H/q+1;/p-1