Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride
Basic information
- CAS
108369-32-0- Standard SMILES
COc1cc(C(=O)OCCC[NH+]2CCCCC2)cc(OC)c1OC.[Cl-]- InChIKey
WAWBZENAJROGJE-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO5
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1656007
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 3-piperidinopropyl ester, hydrochloride
- IUPAC
- 3-piperidin-1-ium-1-ylpropyl 3,4,5-trimethoxybenzoate chloride
Names & synonyms
108369-32-0BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-PIPERIDINOPROPYL ESTER, HYDROCHLORIDERefChem:10790183,4,5-Trimethoxybenzoic acid 3-piperidinopropyl ester hydrochloride1-Piperidinepropanol, 3,4,5-trimethoxybenzoate hydrochlorideChlorowodorek estru gamma-N-piperydynopropylowego kwasu 3,4,5-trojmetylogalusowego [Polish]Chlorowodorek estru gamma-N-piperydynopropylowego kwasu 3,4,5-trojmetylogalusowego
Database identifiers
- CAS
108369-32-0- PubChem CID
- 60246
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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