Basic information
- CAS
65919-86-0- Standard SMILES
CCOC(=O)c1c(C[NH+]2CCCCC2)oc2ccc(O)cc12.[Cl-]- InChIKey
JUJANCYNMBONLM-UHFFFAOYSA-N- Molecular formula
- C17H22ClNO4
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.1237359
Overview
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Names & identifiers
- Preferred name
- Ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate;chloride
- IUPAC
- ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
Names & synonyms
ethyl 5-hydroxy-2-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate;chloride
Database identifiers
- CAS
65919-86-0- PubChem CID
- 47772
Properties
Computed structural properties
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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