[(2-methylphenyl)-octyl-amino]-tris[octyl(phenyl)amino]phosphanium iodide

Systemtic Name: [(2-methylphenyl)-octyl-amino]-tris[octyl(phenyl)amino]phosphanium iodide Openeye Name: (2-methyl-N-octyl-anilino)-tris(N-octylanilino)phosphonium iodide CAS Name: (2-methyl-N-octylanilino)-tris(N-octylanilino)phosphonium iodide IUPAC Name: (2-methyl-N-octylanilino)-tris(N-octylanilino)phosphanium iodide Traditional Name: (2-methyl-N-octyl-anilino)-tris(N-octylanilino)phosphonium iodide Formula: C57H90IN4P MolecularWeight: 989.229531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(C1=CC=CC=C1)[P+](N(CCCCCCCC)C2=CC=CC=C2)(N(CCCCCCCC)C3=CC=CC=C3)N(CCCCCCCC)C4=CC=CC=C4C.[I-]

Isomeric SMILES

CCCCCCCCN(C1=CC=CC=C1)[P+](N(CCCCCCCC)C2=CC=CC=C2)(N(CCCCCCCC)C3=CC=CC=C3)N(CCCCCCCC)C4=CC=CC=C4C.[I-]

InChI

InChI=1S/C57H90N4P.HI/c1-6-10-14-18-22-37-49-58(54-42-29-26-30-43-54)62(59(55-44-31-27-32-45-55)50-38-23-19-15-11-7-2,60(56-46-33-28-34-47-56)51-39-24-20-16-12-8-3)61(52-40-25-21-17-13-9-4)57-48-36-35-41-53(57)5;/h26-36,41-48H,6-25,37-40,49-52H2,1-5H3;1H/q+1;/p-1