Carbamic acid, N-methyl-N-(1-(3,5-xylyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochloride
Basic information
- CAS
100836-66-6- Standard SMILES
Cc1cc(C)cc(OCC(C)N(C)C(=O)OCC[NH+]2CCCCC2C)c1.[Cl-]- InChIKey
RSUMDGVFTFUUBA-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbamic acid, N-methyl-N-(1-(3,5-xylyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochloride
- IUPAC
- 2-(2-methylpiperidin-1-ium-1-yl)ethyl N-[1-(3,5-dimethylphenoxy)propan-2-yl]-N-methylcarbamate chloride
Names & synonyms
C 2141100836-66-6Carbamic acid, N-methyl-N-(1-(3,5-xylyloxy)-2-propyl)-, 2-(2-methylpiperidino)ethyl ester, hydrochlorideN-Methyl-N-(1-(3,5-xylyloxy)-2-propyl)carbamic acid, 2-(2-methylpiperidino)ethyl ester, HClRefChem:332698
Database identifiers
- CAS
100836-66-6- PubChem CID
- 58052
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 421
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Compound notes
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