3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate--hydrogen chloride (1/1)
Basic information
- CAS
67070-19-3- Standard SMILES
CCCCCOc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
IHUQCLGHTDMGHR-UHFFFAOYSA-N- Molecular formula
- C21H34ClNO3
- Average molar mass
- 384 g/mol
- Monoisotopic mass
- 383.2227216
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-pentoxybenzoate chloride
Names & synonyms
67070-19-3DTXSID509861083-(2-Methylpiperidin-1-yl)propyl 4-(pentyloxy)benzoate--hydrogen chloride (1/1)RefChem:1066579DTXCID301413295p-Pentoxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-PENTOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67070-19-3- PubChem CID
- 49349
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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