Basic information
- CAS
87415-52-9- Standard SMILES
CCOC(=O)C[N+](C)(C)CC(O)COc1cccc2ccccc12.[Br-]- InChIKey
MVWHPSQWUABKED-UHFFFAOYSA-M- Molecular formula
- C19H26BrNO4
- Average molar mass
- 412.3 g/mol
- Monoisotopic mass
- 411.10452
Names & identifiers
- Preferred name
- Ammonium, (carboxymethyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, ethyl ester, bromide
- IUPAC
- (2-ethoxy-2-oxoethyl)-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium bromide
Names & synonyms
Ammonium, (carboxymethyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)-, ethyl ester, bromide87415-52-9(Carboxymethyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)ammonium ethyl ester bromideRefChem:318975DTXSID601007544N-(2-Ethoxy-2-oxoethyl)-2-hydroxy-N,N-dimethyl-3-[(naphthalen-1-yl)oxy]propan-1-aminium bromide
Database identifiers
- CAS
87415-52-9- PubChem CID
- 55700
- DTXSID
DTXSID601007544
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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