Basic information
- CAS
66902-58-7- Standard SMILES
CC1CCCC[NH+]1CCCOC(=O)COc1ccccc1.[Cl-]- InChIKey
FAQNOXOTNLHRGG-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 phenoxyacetate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-phenoxyacetate chloride
Names & synonyms
66902-58-7DTXSID109855363-(2-Methylpiperidin-1-yl)propyl phenoxyacetate--hydrogen chloride (1/1)RefChem:1066604DTXCID301412728Phenoxyacetic acid 3-(2-methylpiperidino)propyl ester hydrochlorideACETIC ACID, PHENOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66902-58-7- PubChem CID
- 48274
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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