Ammonium, diisopropyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester)
Basic information
- CAS
66941-38-6- Standard SMILES
CC(C)[N+](C)(Cc1cccc(OC(=O)N(C)C)n1)C(C)C.[Br-]- InChIKey
RQCPUIJRXMYHEU-UHFFFAOYSA-M- Molecular formula
- C16H28BrN3O2
- Average molar mass
- 374.32 g/mol
- Monoisotopic mass
- 373.13649
Names & identifiers
- Preferred name
- Ammonium, diisopropyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester)
- IUPAC
- [6-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-methyl-di(propan-2-yl)azanium bromide
Names & synonyms
Ro 2-312466941-38-6Diisopropyl((3-hydroxy-2-pyridyl)methyl)methylammonium bromide dimethylcarbamate (ester)Ammonium, diisopropyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester)RefChem:319289DTXSID60985662N-({6-[(dimethylcarbamoyl)oxy]pyridin-2-yl}methyl)-N-methyl-N-(propan-2-yl)propan-2-aminium bromide
Database identifiers
- CAS
66941-38-6- PubChem CID
- 48502
- DTXSID
DTXSID60985662
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
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Related reactions
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Compound notes
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