Basic information
- CAS
17854-76-1- Standard SMILES
COc1ccc2c(=O)c3ccccc3oc2c1CN1CCCCC1.Cl- InChIKey
GLMPJGABYSVIST-UHFFFAOYSA-N- Molecular formula
- C20H22ClNO3
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.1288213
Names & identifiers
- Preferred name
- Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride
- IUPAC
- 3-methoxy-4-(piperidin-1-ylmethyl)xanthen-9-one;hydrochloride
Names & synonyms
Xanthen-9-one, 3-methoxy-4-(piperidinomethyl)-, hydrochloride3-Methoxy-4-(piperidinomethyl)xanthen-9-one hydrochloride17854-76-1DTXSID30170508RefChem:388428DTXCID10929993-Methoxy-4-[(piperidin-1-yl)methyl]-9H-xanthen-9-one--hydrogen chloride (1/1)
Database identifiers
- CAS
17854-76-1- PubChem CID
- 205372
- DTXSID
DTXSID30170508
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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