Basic information
- CAS
80189-41-9- Standard SMILES
CCCCCCOCc1ccccc1NC(=O)OCC[NH+]1CCCCC1.[Cl-]- InChIKey
XNDSFQBYVNSJGP-UHFFFAOYSA-N- Molecular formula
- C21H35ClN2O3
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2336207
Names & identifiers
- Preferred name
- Carbanilic acid, o-((hexyloxy)methyl)-, 2-piperidinoethyl ester, hydrochloride
- IUPAC
- 2-piperidin-1-ium-1-ylethyl N-[2-(hexoxymethyl)phenyl]carbamate chloride
Names & synonyms
AMK 2642-Piperidinoethyl o-((hexyloxy)methyl)carbanilate hydrochloride80189-41-9o-((Hexyloxy)methyl)carbanilic acid 2-piperidinoethyl ester hydrochlorideCARBANILIC ACID, o-((HEXYLOXY)METHYL)-, 2-PIPERIDINOETHYL ESTER, HYDROCHLORIDERefChem:333080
Database identifiers
- CAS
80189-41-9- PubChem CID
- 54541
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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