Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate (ester)
Basic information
- CAS
28043-31-4- Standard SMILES
CC(=O)OC1(C#N)CCCCC1C[N+](C)(C)CC(=O)c1ccc(C(=O)C[N+](C)(C)CC2CCCCC2(C#N)OC(C)=O)cc1.[Br-].[Br-]- InChIKey
QHDWPDCIYHAOJC-UHFFFAOYSA-L- Molecular formula
- C34H48Br2N4O6
- Average molar mass
- 768.6 g/mol
- Monoisotopic mass
- 766.19406
Names & identifiers
- Preferred name
- Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate (ester)
- IUPAC
- (2-acetyloxy-2-cyanocyclohexyl)methyl-[2-[4-[2-[(2-acetyloxy-2-cyanocyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Names & synonyms
28043-31-4Ammonium, (terephthaloyldimethylene)bis(((2-cyano-2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, diacetate (ester)RefChem:319123DTXSID409507322,2'-(1,4-Phenylene)bis(N-{[2-(acetyloxy)-2-cyanocyclohexyl]methyl}-N,N-dimethyl-2-oxoethan-1-aminium) dibromide
Database identifiers
- CAS
28043-31-4- PubChem CID
- 34119
- DTXSID
DTXSID40950732
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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