Basic information
- CAS
38198-41-3- Standard SMILES
CCCCCOc1cccc(NC(=O)OC2CCCC[C@H]2[NH+]2CCCCC2)c1.[Cl-]- InChIKey
KBOYWEIEGXOMND-PFYABRPLSA-N- Molecular formula
- C23H37ClN2O3
- Average molar mass
- 425 g/mol
- Monoisotopic mass
- 424.2492707
Names & identifiers
- Preferred name
- Carbanilic acid, m-pentyloxy-, 2-piperidinocyclohexyl ester, hydrochloride, (E)-
- IUPAC
- [(2R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(3-pentoxyphenyl)carbamate chloride
Names & synonyms
m-Pentyloxycarbanilic acid trans-2-piperidinocyclohexyl ester hydrochlorideCARBANILIC ACID, m-PENTYLOXY-, 2-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, (E)-38198-41-3RefChem:333055
Database identifiers
- CAS
38198-41-3- PubChem CID
- 37952
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…