Basic information
- CAS
3043-06-9- Standard SMILES
CCCCOC(C(=O)OCC1CCC[NH+]1C)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
LMZAZNPGRNNGHF-UHFFFAOYSA-N- Molecular formula
- C24H32ClNO3
- Average molar mass
- 418 g/mol
- Monoisotopic mass
- 417.2070716
Names & identifiers
- Preferred name
- Acetic acid, 2-butoxy-2,2-diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride
- IUPAC
- (1-methylpyrrolidin-1-ium-2-yl)methyl 2-butoxy-2,2-diphenylacetate chloride
Names & synonyms
Acetic acid, 2-butoxy-2,2-diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride3043-06-9RefChem:10757512-Butoxy-2,2-diphenylacetic acid (1-methyl-2-pyrrolidinyl)methyl ester hydrochloride
Database identifiers
- CAS
3043-06-9- PubChem CID
- 18243
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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