2-Methyl-3-(piperidin-1-yl)-1-(thiophen-2-yl)propyl phenyl carbonate--methane--hydrogen chloride (1/1/1)
Basic information
- CAS
101911-99-3- Standard SMILES
C.CC(C[NH+]1CCCCC1)C(OC(=O)Oc1ccccc1)c1cccs1.[Cl-]- InChIKey
MWDGTXZSUKOHGH-UHFFFAOYSA-N- Molecular formula
- C21H30ClNO3S
- Average molar mass
- 412 g/mol
- Monoisotopic mass
- 411.1634927
Names & identifiers
- Preferred name
- 2-Methyl-3-(piperidin-1-yl)-1-(thiophen-2-yl)propyl phenyl carbonate--methane--hydrogen chloride (1/1/1)
- IUPAC
- methane;(2-methyl-3-piperidin-1-ium-1-yl-1-thiophen-2-ylpropyl) phenyl carbonate;chloride
Names & synonyms
101911-99-3DTXSID109068022-Methyl-3-(piperidin-1-yl)-1-(thiophen-2-yl)propyl phenyl carbonate--methane--hydrogen chloride (1/1/1)RefChem:1063709DTXCID901335897Phenyl (alpha-(1-(piperidinomethyl)ethyl)-2-thenyl) carbonate hydrochlorideCarbonic acid, phenyl (alpha-(1-(piperidinomethyl)ethyl)-2-thenyl) ester, hydrochloride
Database identifiers
- CAS
101911-99-3- PubChem CID
- 59076
Properties
Computed structural properties
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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