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The molecular formula of the compound is C18H25BrClN3O2.
The molecular weight of the compound is 430.8 g/mol.
The IUPAC name of the compound is (4-chlorophenyl)methyl-bis[2-(2-cyanoethoxy)ethyl]-methylazanium;bromide.
The InChIKey of the compound is RYJQZNNFRQRMLE-UHFFFAOYSA-M.
The Canonical SMILES of the compound is C[N+](CCOCCC#N)(CCOCCC#N)CC1=CC=C(C=C1)Cl.[Br-].
The CAS number of the compound is 94276-06-9.
The compound has 5 hydrogen bond acceptor counts.
The exact mass of the compound is 429.08187 g/mol.
The compound has 12 rotatable bond counts.
Yes, the compound is canonicalized.
94276-03-6
94276-04-7
94276-05-8
94276-07-0
94276-08-1
94276-10-5
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