triphenyl-[(triphenylphosphaniumylmethylcarbamoylamino)methyl]phosphanium dichloride

Systemtic Name: triphenyl-[(triphenylphosphaniumylmethylcarbamoylamino)methyl]phosphanium dichloride Openeye Name: triphenyl-[(triphenylphosphaniumylmethylcarbamoylamino)methyl]phosphonium dichloride CAS Name: [[oxo-(triphenylphosphiniumylmethylamino)methyl]amino]methyl-triphenylphosphonium dichloride IUPAC Name: triphenyl-[(triphenylphosphaniumylmethylcarbamoylamino)methyl]phosphanium dichloride Traditional Name: triphenyl-[(triphenylphosphiniumylmethylcarbamoylamino)methyl]phosphonium dichloride Formula: C39H36Cl2N2OP2 MolecularWeight: 681.569462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CNC(=O)NC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CNC(=O)NC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-]

InChI

InChI=1S/C39H35N2OP2.2ClH/c42-39(40-31-43(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)41-32-44(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;;/h1-30H,31-32H2,(H-,40,41,42);2*1H/q+1;;/p-1