Troxypyrrolium
Basic information
- CAS
24468-02-8- Standard SMILES
CC[N+]1(CCOC(=O)c2cc(OC)c(OC)c(OC)c2)CCCC1- InChIKey
FYDIOQNEQHPRNW-UHFFFAOYSA-N- Molecular formula
- C18H28NO5+
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.19674799
Names & identifiers
- Preferred name
- Troxypyrrolium
- IUPAC
- 2-(1-ethylpyrrolidin-1-ium-1-yl)ethyl 3,4,5-trimethoxybenzoate
- English name
- 1-Ethyl-1-[2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl]pyrrolidinium
- Molecular weight
- 0
Names & synonyms
TroxypyrroliumTroxypyrrolium ionTroxypyrrolium cationTroxypyrrolidinium ionTroxypyrrolidinium cation3TGW42ZEPGRefChem:933582Troxypyrrolidinium24468-02-8Pyrrolidinium, 1-ethyl-1-(2-((3,4,5-trimethoxybenzoyl)oxy)ethyl)-UNII-3TGW42ZEPGN-Ethyl-N-2-(3,4,5-trimethoxybenzoyloxy)ethyl pyrrolidinium tosylate
Show more names
1-Ethyl-1-[2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl]pyrrolidinium
CHEMBL2111183DTXSID80179228Pyrrolidinium, N-ethyl-N-(2-(3,4,5-trimethoxybenzoyloxy)ethyl)-, tosylateQ272580141-Ethyl-1-{2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}pyrrolidin-1-ium
Database identifiers
- CAS
24468-02-8- PubChem CID
- 71528
- DTXSID
DTXSID80179228- ChEMBL
CHEMBL2111183- UNII
- 3TGW42ZEPG
- Nikkaji
- J22.053A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 383
Physicochemical properties
- FDA UNII
- 3 TGW42ZEPG · 3TGW42ZEPG
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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