Ammonium, dipropyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester), hydrate
Basic information
- CAS
72017-51-7- Standard SMILES
CCC[N+](C)(CCC)Cc1ncccc1OC(=O)N(C)C.[Br-]- InChIKey
APWBSELWAWLPBV-UHFFFAOYSA-M- Molecular formula
- C16H28BrN3O2
- Average molar mass
- 374.32 g/mol
- Monoisotopic mass
- 373.13649
Names & identifiers
- Preferred name
- Ammonium, dipropyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester), hydrate
- IUPAC
- [3-(dimethylcarbamoyloxy)-2-pyridinyl]methyl-methyl-dipropylazanium bromide
Names & synonyms
Ro 2-275072017-51-7Ammonium, dipropyl((3-hydroxy-2-pyridyl)methyl)methyl-, bromide, dimethylcarbamate (ester), hydrateRefChem:319351DTXSID90992703N-({3-[(dimethylcarbamoyl)oxy]pyridin-2-yl}methyl)-N-methyl-N-propylpropan-1-aminium bromide
Database identifiers
- CAS
72017-51-7- PubChem CID
- 51496
- DTXSID
DTXSID90992703
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
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Compound notes
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