93963-36-1 Purity
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Specification
The molecular formula is C22H44BrNO2.
The molecular weight is 434.5 g/mol.
The IUPAC name is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium;bromide.
The InChI code is InChI=1S/C22H44NO2.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4,5)19-20-25-22(24)21(2)3;/h2,6-20H2,1,3-5H3;1H/q+1;/p-1.
The Canonical SMILES is CCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)C(=C)C.[Br-].
The CAS number is 93963-45-2.
There are 0 hydrogen bond donor counts.
The exact mass is 433.25554 g/mol.
There are 18 rotatable bond counts.
Yes, the compound is canonicalized.
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