triphenyl-[[2,4,6-trimethyl-5-(triphenylphosphaniumylmethyl)pyridin-3-yl]methyl]phosphanium dibromide

Systemtic Name: triphenyl-[[2,4,6-trimethyl-5-(triphenylphosphaniumylmethyl)pyridin-3-yl]methyl]phosphanium dibromide Openeye Name: triphenyl-[[2,4,6-trimethyl-5-(triphenylphosphaniumylmethyl)-3-pyridyl]methyl]phosphonium dibromide CAS Name: triphenyl-[[2,4,6-trimethyl-5-(triphenylphosphiniumylmethyl)-3-pyridinyl]methyl]phosphonium dibromide IUPAC Name: triphenyl-[[2,4,6-trimethyl-5-(triphenylphosphaniumylmethyl)pyridin-3-yl]methyl]phosphanium dibromide Traditional Name: triphenyl-[[2,4,6-trimethyl-5-(triphenylphosphiniumylmethyl)-3-pyridyl]methyl]phosphonium dibromide Formula: C46H43Br2NP2 MolecularWeight: 831.595842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

CC1=C(C(=NC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C46H43NP2.2BrH/c1-36-45(34-48(39-22-10-4-11-23-39,40-24-12-5-13-25-40)41-26-14-6-15-27-41)37(2)47-38(3)46(36)35-49(42-28-16-7-17-29-42,43-30-18-8-19-31-43)44-32-20-9-21-33-44;;/h4-33H,34-35H2,1-3H3;2*1H/q+2;;/p-2