The molecular formula of the compound is C18H27ClIN.
What is the molecular weight of the compound?
The molecular weight of the compound is 419.8 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (1S,5R)-3-[(2-chlorophenyl)methyl]-1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octane;iodide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C18H27ClN.HI/c1-17(2)15-9-10-18(17,3)13-20(4,12-15)11-14-7-5-6-8-16(14)19;/h5-8,15H,9-13H2,1-4H3;1H/q+1;/p-1/t15-,18+,20?;/m0./s1.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1(C2CCC1(C[N+](C2)(C)CC3=CC=CC=C3Cl)C)C.[I-].
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor count does the compound have?
The compound has 1 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 0-2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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