Basic information
- CAS
64051-16-7- Standard SMILES
COS(=O)(=O)[O-].C[N+](C)(C)c1cccc(OC(=O)NCc2ccccc2)c1- InChIKey
VKULSCWSGRFZCI-UHFFFAOYSA-N- Molecular formula
- C18H24N2O6S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.13550766
Names & identifiers
- Preferred name
- Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, benzylcarbamate
- IUPAC
- [3-(benzylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate
Names & synonyms
AR-2364051-16-7AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, METHYLSULFATE, BENZYLCARBAMATEBenzylcarbamic ester of 3-oxyphenyltrimethylammonium methylsulfateDTXSID50214190Ammonium, (3-(N-benzylcarbamoyloxy)phenyl)trimethyl-, methylsulfateCarbamic acid, N-benzyl-, 3-(trimethylammonio)phenyl ester, methylsulfateRefChem:319013DTXCID50136681SCHEMBL29363327[3-(benzylcarbamoyloxy)phenyl]-trimethylazanium;methyl sulfate3-[(benzylcarbamoyl)oxy]-N,N,N-trimethylanilinium methyl sulfate
Database identifiers
- CAS
64051-16-7- PubChem CID
- 47069
- DTXSID
DTXSID50214190
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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