Basic information
- CAS
52205-66-0- Standard SMILES
CCCCOc1cccc(N(CC)C(=O)OC(C)C[NH+]2CCCCC2)c1.[Cl-]- InChIKey
XNSYZCVADDHPOX-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbanilic acid, m-butoxy-N-ethyl-, 1-methyl-2-piperidinoethyl ester, monohydrochloride
- IUPAC
- 1-piperidin-1-ium-1-ylpropan-2-yl N-(3-butoxyphenyl)-N-ethylcarbamate chloride
Names & synonyms
Carbanilic acid, m-butoxy-N-ethyl-, 1-methyl-2-piperidinoethyl ester, monohydrochloride52205-66-0RefChem:1081093m-Butoxy-N-ethylcarbanilic acid 1-methyl-2-piperidinoethyl ester monohydrochloride1-Methyl-2-piperidinoethyl m-butoxy-N-ethylcarbanilate hydrochloride
Database identifiers
- CAS
52205-66-0- PubChem CID
- 40289
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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