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Sulfated prism[6]arene binds one guest internally and one guest externally

Emmanuel A. Bazan-Bergamino, Steven Ayoub, David L. Mobley and Lyle Isaacs

Beilstein J. Org. Chem. 2026, 22, 1635–1648. https://doi.org/10.3762/bjoc.22.132

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Chemical structure [C<sub>4</sub>H<sub>12</sub>N]<sup>+</sup>

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Extracted from

Figure 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	[C₄H₁₂N]⁺
Molecular Weight	74.14 g/mol
Exact Mass	74.0970 Da
InChI	InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1
InChIKey	QEMXHQIAXOOASZ-UHFFFAOYSA-N
SMILES	C[N@+](C)(C)C
Number of Atoms	17
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	0
XLogP	-0.1

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