Cinnamic acid, p-methoxy-alpha-(p-methoxyphenyl)-, 3-tropanyl ester, hydrochloride
Basic information
- CAS
67210-56-4- Standard SMILES
COc1ccc(/C=C(/C(=O)OC2CC3CCC(C2)[NH+]3C)c2ccc(OC)cc2)cc1.[Cl-]- InChIKey
WBFVVFZUPGGLOV-SXMBIPSUSA-N- Molecular formula
- C25H30ClNO4
- Average molar mass
- 444 g/mol
- Monoisotopic mass
- 443.1863361
Names & identifiers
- Preferred name
- Cinnamic acid, p-methoxy-alpha-(p-methoxyphenyl)-, 3-tropanyl ester, hydrochloride
- IUPAC
- (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2,3-bis(4-methoxyphenyl)prop-2-enoate chloride
Names & synonyms
Cinnamic acid, p-methoxy-alpha-(p-methoxyphenyl)-, 3-tropanyl ester, hydrochloride67210-56-4RefChem:1081844p-Methoxy-alpha-(p-methoxyphenyl)cinnamic acid 3-tropanyl ester hydrochloride
Database identifiers
- CAS
67210-56-4- PubChem CID
- 6435006
Properties
Computed structural properties
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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