Basic information
- CAS
106978-54-5- Standard SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1I)Cc1ccccc1I.[Br-].[Br-]- InChIKey
KSOXZNGVGGGTMP-UHFFFAOYSA-N- Molecular formula
- C28H42Br2I2N4O2
- Average molar mass
- 880.3 g/mol
- Monoisotopic mass
- 877.9764
Names & identifiers
- Preferred name
- Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide
- IUPAC
- 2-[[2-[2-[diethyl-[(2-iodophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-iodophenyl)methyl]azanium dibromide
Names & synonyms
AMMONIUM, (OXALYLBIS(IMINOETHYLENE))BIS(DIETHYL(o-IODOBENZYL)-, DIBROMIDE106978-54-5(Oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)ammonium bromide)RefChem:3190512-[[2-[2-[diethyl-[(2-iodophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-iodophenyl)methyl]azanium;dibromide
Database identifiers
- CAS
106978-54-5- PubChem CID
- 60174
Properties
Computed structural properties
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 614
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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