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Basic information
- Standard SMILES
CCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OCc1ccc[nH+]c1.[Cl-]- InChIKey
VBVISAJRRRZAKV-UHFFFAOYSA-N- Molecular formula
- C24H25Cl2NO3
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 445.121149
Names & identifiers
- Preferred name
- Pyridin-1-ium-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate chloride
- IUPAC
- pyridin-1-ium-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate chloride
Database identifiers
- PubChem CID
- 43386
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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