Basic information
- CAS
6168-88-3- Standard SMILES
C[NH+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1.[Cl-]- InChIKey
TVXBKVYKFXLEAI-AMDBCLDASA-N- Molecular formula
- C22H26ClNO2
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1652068
Overview
See also: Lobelanine hydrochloride (preferred).
Names & identifiers
- Preferred name
- 2-[(2S,6R)-1-methyl-6-phenacylpiperidin-1-ium-2-yl]-1-phenylethanone chloride
- IUPAC
- 2-[(2S,6R)-1-methyl-6-phenacylpiperidin-1-ium-2-yl]-1-phenylethanone chloride
Database identifiers
- CAS
6168-88-3- PubChem CID
- 5459331
Properties
Computed structural properties
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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