Basic information
- CAS
66902-71-4- Standard SMILES
CN(C)C(=O)Oc1ccc2ccccc2c1C[N+](C)(C)Cc1ccccc1.[Br-]- InChIKey
UJLNTUMCCLPBFU-UHFFFAOYSA-M- Molecular formula
- C23H27BrN2O2
- Average molar mass
- 443.4 g/mol
- Monoisotopic mass
- 442.12559
Names & identifiers
- Preferred name
- Ammonium, benzyldimethyl(2-hydroxy-1-naphthyl)methyl-, bromide, dimethylcarbamate (ester)
- IUPAC
- benzyl-[[2-(dimethylcarbamoyloxy)naphthalen-1-yl]methyl]-dimethylazanium bromide
Names & synonyms
66902-71-4Ro 2-1700Benzyldimethyl(2-hydroxy-1-naphthyl)methylammonium bromide dimethylcarbamate (ester)Ammonium, benzyldimethyl(2-hydroxy-1-naphthyl)methyl-, bromide, dimethylcarbamate (ester)RefChem:319169DTXSID20985547N-Benzyl{2-[(dimethylcarbamoyl)oxy]naphthalen-1-yl}-N,N-dimethylmethanaminium bromide
Database identifiers
- CAS
66902-71-4- PubChem CID
- 48293
- DTXSID
DTXSID20985547
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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