Ammonium, diethylmethyl(2-(4-(4-octyloxybenzamido)benzoyloxy)ethyl)-, bromide
Basic information
- CAS
51476-03-0- Standard SMILES
CCCCCCCCOc1ccc(C(=O)Nc2ccc(C(=O)OCC[N+](C)(CC)CC)cc2)cc1.[Br-]- InChIKey
GYPQRCRWHJRTIS-UHFFFAOYSA-N- Molecular formula
- C29H43BrN2O4
- Average molar mass
- 563.6 g/mol
- Monoisotopic mass
- 562.24062
Names & identifiers
- Preferred name
- Ammonium, diethylmethyl(2-(4-(4-octyloxybenzamido)benzoyloxy)ethyl)-, bromide
- IUPAC
- diethyl-methyl-[2-[4-[(4-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium bromide
Names & synonyms
Ammonium, diethylmethyl(2-(4-(4-octyloxybenzamido)benzoyloxy)ethyl)-, bromide51476-03-0Diethyl(2-hydroxyethyl)methylammonium bromide p-(p-(octyloxy)benzamido)benzoate (ester)RefChem:319280SCHEMBL22323904
Database identifiers
- CAS
51476-03-0- PubChem CID
- 3039983
Properties
Computed structural properties
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 591
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Compound notes
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