Ammonium, diethyl(2-(4-(2-heptyloxybenzamido)benzoyloxy)ethyl)methyl-, bromide
Basic information
- CAS
49557-33-7- Standard SMILES
CCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1.[Br-]- InChIKey
YRQJCCFFSHSCEI-UHFFFAOYSA-N- Molecular formula
- C28H41BrN2O4
- Average molar mass
- 549.5 g/mol
- Monoisotopic mass
- 548.22497
Names & identifiers
- Preferred name
- Ammonium, diethyl(2-(4-(2-heptyloxybenzamido)benzoyloxy)ethyl)methyl-, bromide
- IUPAC
- diethyl-[2-[4-[(2-heptoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium bromide
Names & synonyms
49557-33-7Diethyl(2-(4-(2-heptyloxybenzamido)benzoyloxy)ethyl)methylammonium bromideAmmonium, diethyl(2-(4-(2-heptyloxybenzamido)benzoyloxy)ethyl)methyl-, bromideRefChem:319210AC-3391Otilonium Bromide Impurity 14SCHEMBL22324511AKOS025402029
Database identifiers
- CAS
49557-33-7- PubChem CID
- 206302
Properties
Computed structural properties
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…