Basic information
- CAS
3138-70-3- Standard SMILES
CCOC(C(=O)OC1CCC[NH+](C)C1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
VZIZQTPWDZQUNQ-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO3
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.1757714
Names & identifiers
- Preferred name
- 1-Methylpiperidin-3-yl ethoxy(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- (1-methylpiperidin-1-ium-3-yl) 2-ethoxy-2,2-diphenylacetate chloride
Names & synonyms
3138-70-3DTXSID409534201-Methylpiperidin-3-yl ethoxy(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1055868DTXCID1013814722,2-Diphenyl-2-ethoxyacetic acid (1-methyl-3-piperidyl) ester hydrochlorideACETIC ACID, 2,2-DIPHENYL-2-ETHOXY-, (1-METHYL-3-PIPERIDYL) ESTER, HYDROCHLORIDE
Database identifiers
- CAS
3138-70-3- PubChem CID
- 18447
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…