Basic information
- CAS
3138-69-0- Standard SMILES
COC(C(=O)OC1CCC[NH+](C)C1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
SMSJRVTWVPHLCT-UHFFFAOYSA-N- Molecular formula
- C21H26ClNO3
- Average molar mass
- 375.9 g/mol
- Monoisotopic mass
- 375.1601214
Names & identifiers
- Preferred name
- Acetic acid, 2,2-diphenyl-2-methoxy-, (1-methyl-3-piperidyl) ester, hydrochloride
- IUPAC
- (1-methylpiperidin-1-ium-3-yl) 2-methoxy-2,2-diphenylacetate chloride
Names & synonyms
Acetic acid, 2,2-diphenyl-2-methoxy-, (1-methyl-3-piperidyl) ester, hydrochloride3138-69-0RefChem:10756942,2-Diphenyl-2-methoxyacetic acid (1-methyl-3-piperidyl) ester hydrochloride
Database identifiers
- CAS
3138-69-0- PubChem CID
- 18445
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…