93963-42-9 Purity
96%
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Specification
The molecular formula is C27H46ClNO2.
The molecular weight is 452.1 g/mol.
Some synonyms include 93963-47-4 and EINECS 300-791-5.
The IUPAC name is (4-dodecylphenyl)methyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride.
The InChI key is ZMTPVMXQYQBZQJ-UHFFFAOYSA-M.
The Canonical SMILES is CCCCCCCCCCCCC1=CC=C(C=C1)C[N+](C)(C)CCOC(=O)C(=C)C.[Cl-].
The CAS number is 93963-47-4.
The compound has 3 hydrogen bond acceptor counts.
The exact mass is 451.3217074 g/mol.
Yes, the compound is canonicalized.