Basic information
- CAS
4386-76-9- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)c1cc(OC)c(OC)c(OC)c1- InChIKey
UDKQGBNUPIFBSJ-UHFFFAOYSA-N- Molecular formula
- C18H30NO5+
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.21239806
Names & identifiers
- Preferred name
- N,N,N-triethyl-2-[(3,4,5-trimethoxybenzoyl)oxy]ethanaminium
- IUPAC
- triethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium
Names & synonyms
Troxonium ionTroxonium cationCHEMBL2111074SCHEMBL29388450AE-641/00616057
Database identifiers
- CAS
4386-76-9- PubChem CID
- 417951
- ChEMBL
CHEMBL2111074- UNII
- O3G618B085
- Nikkaji
- J8.714I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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