[2-oxidanylidene-3-(triphenylphosphaniumylmethyl)-1,3-diazinan-1-yl]methyl-triphenyl-phosphanium

Systemtic Name: [2-oxidanylidene-3-(triphenylphosphaniumylmethyl)-1,3-diazinan-1-yl]methyl-triphenyl-phosphanium Openeye Name: [2-oxo-3-(triphenylphosphaniumylmethyl)hexahydropyrimidin-1-yl]methyl-triphenyl-phosphonium CAS Name: [2-oxo-3-(triphenylphosphiniumylmethyl)-1,3-diazinan-1-yl]methyl-triphenylphosphonium IUPAC Name: [2-oxo-3-(triphenylphosphaniumylmethyl)-1,3-diazinan-1-yl]methyl-triphenylphosphanium Traditional Name: [2-keto-3-(triphenylphosphiniumylmethyl)hexahydropyrimidin-1-yl]methyl-triphenyl-phosphonium Formula: C42H40N2OP2+2 MolecularWeight: 650.727322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(C(=O)N(C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C42H40N2OP2/c45-42-43(34-46(36-20-7-1-8-21-36,37-22-9-2-10-23-37)38-24-11-3-12-25-38)32-19-33-44(42)35-47(39-26-13-4-14-27-39,40-28-15-5-16-29-40)41-30-17-6-18-31-41/h1-18,20-31H,19,32-35H2/q+2