Basic information
- CAS
52224-29-0- Standard SMILES
CCCCCOc1cccc(N(C)C(=O)OCC[NH+]2CCCCC2)c1.[Cl-]- InChIKey
UXLFQIRAUMTHFW-UHFFFAOYSA-N- Molecular formula
- C20H33ClN2O3
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.2179706
Names & identifiers
- Preferred name
- Carbanilic acid, N-methyl-m-(pentyloxy)-, 2-piperidinoethyl ester, monohydrochloride
- IUPAC
- 2-piperidin-1-ium-1-ylethyl N-methyl-N-(3-pentoxyphenyl)carbamate chloride
Names & synonyms
N-Methyl-m-(pentyloxy)carbanilic acid 2-piperidinoethyl ester monohydrochlorideCarbamic acid, methyl(3-(pentyloxy)phenyl)-, 2-(1-piperidinyl)ethyl ester, hydrochlorideCarbanilic acid, N-methyl-m-(pentyloxy)-, 2-piperidinoethyl ester, monohydrochloride52224-29-0RefChem:333074
Database identifiers
- CAS
52224-29-0- PubChem CID
- 40293
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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