Basic information
- CAS
14054-12-7- Standard SMILES
CCCCCCCCCCCC(c1ccc(C)cc1)[N+](C)(C)C- InChIKey
YTPPIAQYUNXREO-UHFFFAOYSA-N- Molecular formula
- C22H40N+
- Average molar mass
- 318.6 g/mol
- Monoisotopic mass
- 318.31607528
Names & identifiers
- Preferred name
- Toloconium
- IUPAC
- trimethyl-[1-(4-methylphenyl)dodecyl]azanium
Names & synonyms
ToloconiumToloconium ionToloconium cationUNII-SXW0Z9HO64SXW0Z9HO64Ammonium, trimethyl(1-p-tolyldodecyl)-14054-12-7TOLOCONIUM [WHO-DD]Benzenemethanaminium, N,N,N,4-tetramethyl-alpha-undecyl-BENZENEMETHANAMINIUM, N,N,N,4-TETRAMETHYL-.ALPHA.-UNDECYL-RefChem:190299SCHEMBL5318710
Show more names
CHEMBL2111171Q27289454
Database identifiers
- CAS
14054-12-7- PubChem CID
- 71504
- ChEMBL
CHEMBL2111171- UNII
- SXW0Z9HO64
- Nikkaji
- J2.935.359J
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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