Basic information
- CAS
41006-82-0- Standard SMILES
C[N+](C)(C)c1ccc(OC(=O)c2ccccc2)cc1- InChIKey
YSQQZRQSZIJQDB-UHFFFAOYSA-N- Molecular formula
- C16H18NO2+
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.13375382
Names & identifiers
- Preferred name
- Benzenaminium, 4-(benzoyloxy)-N,N,N-trimethyl-
- IUPAC
- (4-benzoyloxyphenyl)-trimethylazanium
Names & synonyms
Benzenaminium, 4-(benzoyloxy)-N,N,N-trimethyl-41006-82-04-(benzoyloxy)-n,n,n-trimethylaniliniumDTXSID10275505
Database identifiers
- CAS
41006-82-0- PubChem CID
- 46773
- DTXSID
DTXSID10275505
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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