Basic information
- CAS
3212-45-1- Standard SMILES
C[NH+]1CCCC1COC(=O)C(OCc1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
KHZOVTCGYKJECR-UHFFFAOYSA-N- Molecular formula
- C27H30ClNO3
- Average molar mass
- 452 g/mol
- Monoisotopic mass
- 451.1914215
Names & identifiers
- Preferred name
- Acetic acid, 2-benzyloxy-2,2-diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride
- IUPAC
- (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-phenylmethoxyacetate chloride
Names & synonyms
Acetic acid, 2-benzyloxy-2,2-diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride3212-45-1RefChem:10757492-Benzyloxy-2,2-diphenylacetic acid (1-methyl-2-pyrrolidinyl)methyl ester hydrochlorideAcetic acid, (benzyloxy)diphenyl-, (1-methyl-2-pyrrolidinyl)methyl ester, hydrochloride
Database identifiers
- CAS
3212-45-1- PubChem CID
- 18567
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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