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The IUPAC name is 2,2-dimethyl-1-prop-2-enoyloxy-3-(propylazaniumyl)propane-1-sulfonate.
The molecular formula is C11H21NO5S.
The molecular weight is 279.36 g/mol.
The parent compound is CID 90477696, which is 2,2-Dimethyl-1-prop-2-enoyloxy-3-(propylamino)propane-1-sulfonic acid.
The InChI is InChI=1S/C11H21NO5S/c1-5-7-12-8-11(3,4)10(18(14,15)16)17-9(13)6-2/h6,10,12H,2,5,7-8H2,1,3-4H3,(H,14,15,16).
The InChIKey is CHTNFXFWGKTJAS-UHFFFAOYSA-N.
The canonical SMILES is CCC[NH2+]CC(C)(C)C(OC(=O)C=C)S(=O)(=O)[O-].
The compound has 1 hydrogen bond donor atom.
The compound has 5 hydrogen bond acceptor atoms.
The compound has 8 rotatable bonds.
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