Basic information
- CAS
3015-41-6- Standard SMILES
CC[N+]1(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCCC1.[I-]- InChIKey
VJIXMQDHMKHTTE-UHFFFAOYSA-M- Molecular formula
- C19H30INO5
- Average molar mass
- 479.3 g/mol
- Monoisotopic mass
- 479.11687
Names & identifiers
- Preferred name
- Troxypiperidinium iodide
- IUPAC
- 2-(1-ethylpiperidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate iodide
Names & synonyms
Troxypiperidinium iodide3015-41-6N-Ethyl-N-(2-(3,4,5-trimethoxybenzoyloxy)ethyl)piperidinium iodide1-Ethyl-1-(2-hydroxyethyl)piperidinium iodide 3,4,5-trimethoxybenzoatePiperidinium, 1-ethyl-1-(2-hydroxyethyl)-, iodide, 3,4,5-trimethoxybenzoateRefChem:386791DTXSID409525541-Ethyl-1-{2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}piperidin-1-ium iodide
Database identifiers
- CAS
3015-41-6- PubChem CID
- 200972
- DTXSID
DTXSID40952554
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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