Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, carbamate
Basic information
- CAS
64051-18-9- Standard SMILES
COS(=O)(=O)[O-].C[N+](C)(C)c1cccc(OC(N)=O)c1- InChIKey
ZABUYIINIKPQQB-UHFFFAOYSA-N- Molecular formula
- C11H18N2O6S
- Average molar mass
- 306.34 g/mol
- Monoisotopic mass
- 306.08855747
Names & identifiers
- Preferred name
- Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, carbamate
- IUPAC
- (3-carbamoyloxyphenyl)-trimethylazanium;methyl sulfate
- English name
- Benzenaminium, 3-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, methyl sulfate (1:1)
- Molecular formula
- C11H18N2O6S
- Molecular weight
- 306.33
Names & synonyms
64051-18-9AR-11AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, CARBAMATECarbamic acid, (m-trimethylammonio)phenyl ester, methylsulfateCarbamic acid, 3-dimethylaminophenyl ester, methosulfateAmmonium, ((m-carbamoyloxy)phenyl)trimethyl-, methylsulfateCarbamic ester of 3-oxyphenyltrimethylammonium methylsulfateDTXSID10214191RefChem:319014DTXCID10136682N,N,N-Trimethyl-3-[(aminocarbonyl)oxy]-Benzenaminium Methyl SulfateNeostigmine Impurity N3
Show more names
NeostigmineImpurity14MetilsulfateBenzenaminium, 3-[(aminocarbonyl)oxy]-N,N,N-trimethyl-, methyl sulfate (1:1)
Neostigmine Impurity 22(3-carbamoyloxyphenyl)-trimethylazanium;methyl sulfate3-(Carbamoyloxy)-N,N,N-trimethylanilinium methyl sulfate3-(carbamoyloxy)-N,N,N-trimethylbenzenaminium methyl sulfate
Database identifiers
- CAS
64051-18-9- PubChem CID
- 47070
- DTXSID
DTXSID10214191
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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