Basic information
- CAS
52224-30-3- Standard SMILES
CCCCCOc1cccc(N(CC)C(=O)OCC[NH+]2CCCCC2)c1.[Cl-]- InChIKey
JLAFRSWYDNQUSD-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbanilic acid, N-ethyl-m-(pentyloxy)-, 2-piperidinoethyl ester, monohydrochloride
- IUPAC
- 2-piperidin-1-ium-1-ylethyl N-ethyl-N-(3-pentoxyphenyl)carbamate chloride
Names & synonyms
N-Ethyl-m-(pentyloxy)carbanilic acid 2-piperidinoethyl ester monohydrochlorideCarbamic acid, ethyl(3-(pentyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, monohydrochlorideCarbanilic acid, N-ethyl-m-(pentyloxy)-, 2-piperidinoethyl ester, monohydrochloride52224-30-3RefChem:333072
Database identifiers
- CAS
52224-30-3- PubChem CID
- 40295
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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