Basic information
- CAS
101468-12-6- Standard SMILES
CC1CCCC[NH+]1CCCc1c(C(=O)O)oc2ccccc12.[Cl-]- InChIKey
DRCDFPKDCUHBLG-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO3
- Average molar mass
- 337.8 g/mol
- Monoisotopic mass
- 337.1444713
Names & identifiers
- Preferred name
- Coumarilic acid, 3-(2-methylpiperidino)propyl ester, monohydrochloride
- IUPAC
- 3-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-benzofuran-2-carboxylic acid chloride
Names & synonyms
101468-12-63-(2-Methylpiperidino)propyl ester of coumarilic acid hydrochlorideCOUMARILIC ACID, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, MONOHYDROCHLORIDERefChem:334381
Database identifiers
- CAS
101468-12-6- PubChem CID
- 58374
Properties
Computed structural properties
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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