Basic information
- CAS
19617-38-0- Standard SMILES
CC[N+](CC)(CC)Cc1ccccc1.O=C([O-])c1ccccc1- InChIKey
QMRUCMVODPLIOG-UHFFFAOYSA-M- Molecular formula
- C20H27NO2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.2041791
Names & identifiers
- Preferred name
- Ammonium, benzyltriethyl-, benzoate
- IUPAC
- benzyl(triethyl)azanium benzoate
Names & synonyms
Benzyltriethylammonium benzoateAMMONIUM, BENZYLTRIETHYL-, BENZOATE19617-38-0DTXSID40173287RefChem:319175DTXCID8095778SCHEMBL236709N-Benzyl-N,N-diethylethanaminium benzoate
Database identifiers
- CAS
19617-38-0- PubChem CID
- 29692
- DTXSID
DTXSID40173287
Properties
Computed structural properties
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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