Basic information
- CAS
60553-14-2- Standard SMILES
CCCCCCOc1cccc(OCCCC[N+]2(CC)CCCCC2)c1- InChIKey
IPKRAWYZQCWGKO-UHFFFAOYSA-N- Molecular formula
- C23H40NO2+
- Average molar mass
- 362.6 g/mol
- Monoisotopic mass
- 362.30590452
Names & identifiers
- Preferred name
- 1-Ethyl-1-[4-(3-hexoxyphenoxy)butyl]piperidin-1-ium
- IUPAC
- 1-ethyl-1-[4-(3-hexoxyphenoxy)butyl]piperidin-1-ium
Names & synonyms
60553-14-2NSC2918061-ethyl-1-[4-(3-hexoxyphenoxy)butyl]piperidin-1-iumDTXSID80330655NSC-2918061-ETHYL-1-{4-[3-(HEXYLOXY)PHENOXY]BUTYL}PIPERIDIN-1-IUM
Database identifiers
- CAS
60553-14-2- PubChem CID
- 431306
- DTXSID
DTXSID80330655
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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