93942-59-7 Purity
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Specification
The molecular formula of the compound is C25H50ClNO4.
Some synonyms for the compound are 93942-68-8, EINECS 300-623-0, and [2-Hydroxy-3-(tetradecyloxy)propyl]dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride.
The molecular weight of the compound is 464.1 g/mol.
The IUPAC name of the compound is (2-hydroxy-3-tetradecoxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride.
The Canonical SMILES notation of the compound is CCCCCCCCCCCCCCOCC(C[N+](C)(C)CCOC(=O)C(=C)C)O.[Cl-].
The InChIKey of the compound is ZLILYVWPKRFJEQ-UHFFFAOYSA-M.
There is 1 hydrogen bond donor present in the compound.
There are 5 hydrogen bond acceptors present in the compound.
The compound has 22 rotatable bond counts.
Yes, the compound is canonicalized.