Basic information
- CAS
101491-84-3- Standard SMILES
CCN(C(=O)OCC[NH+]1CCCCC1C)C(C)COc1ccccc1C.[Cl-]- InChIKey
KMHSEXZIHDSEGW-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbamic acid, N-ethyl-N-(1-(o-tolyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochloride
- IUPAC
- 2-(2-methylpiperidin-1-ium-1-yl)ethyl N-ethyl-N-[1-(2-methylphenoxy)propan-2-yl]carbamate chloride
Names & synonyms
C 2138101491-84-3Carbamic acid, N-ethyl-N-(1-(o-tolyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochlorideN-Ethyl-N-(1-(o-tolyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HClRefChem:332690
Database identifiers
- CAS
101491-84-3- PubChem CID
- 58467
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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