Basic information
- CAS
1093-20-5- Standard SMILES
CC(=O)OCC1OC(c2ccccc2)OCC1C[N+](C)(C)C.[Br-]- InChIKey
CSBIQJCYLDCBES-UHFFFAOYSA-M- Molecular formula
- C17H26BrNO4
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 387.10452
Names & identifiers
- Preferred name
- Ammonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide, acetate
- IUPAC
- [4-(acetyloxymethyl)-2-phenyl-1,3-dioxan-5-yl]methyl-trimethylazanium bromide
Names & synonyms
HC 15751093-20-5((5-(Hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethylammonium bromide acetateAmmonium, ((5-(hydroxymethyl)-2-phenyl-m-dioxan-5-yl)methyl)trimethyl-, bromide, acetateRefChem:318657DTXSID10911092{4-[(acetyloxy)methyl]-2-phenyl-1,3-dioxan-5-yl}-N,N,N-trimethylmethanaminium bromide
Database identifiers
- CAS
1093-20-5- PubChem CID
- 14175
- DTXSID
DTXSID10911092
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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