Basic information
- CAS
66827-77-8- Standard SMILES
COc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
SWHXCNZLKMPRTF-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.1601214
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-methoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-methoxybenzoate chloride
Names & synonyms
66827-77-8DTXSID509854193-(2-Methylpiperidin-1-yl)propyl 4-methoxybenzoate--hydrogen chloride (1/1)RefChem:1066592DTXCID701412613p-ANISIC ACID, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66827-77-8- PubChem CID
- 48112
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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