Basic information
- CAS
67114-21-0- Standard SMILES
CC1CC[NH+](CC(C)C(C)OC(=O)c2ccccc2)CC1.[Cl-]- InChIKey
VMQCTBMMVYOESR-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- 3-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)
- IUPAC
- [3-methyl-4-(4-methylpiperidin-1-ium-1-yl)butan-2-yl] benzoate chloride
Names & synonyms
67114-21-0DTXSID709861453-Methyl-4-(4-methylpiperidin-1-yl)butan-2-yl benzoate--hydrogen chloride (1/1)RefChem:1068243DTXCID101413332BENZOIC ACID, 1,2-DIMETHYL-3-(4-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67114-21-0- PubChem CID
- 49366
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…