2-methyl-4-(1-methylpyridin-1-ium-4-yl)but-3-yn-2-ol iodide

Systemtic Name: 2-methyl-4-(1-methylpyridin-1-ium-4-yl)but-3-yn-2-ol iodide Openeye Name: 2-methyl-4-(1-methylpyridin-1-ium-4-yl)but-3-yn-2-ol iodide CAS Name: 2-methyl-4-(1-methyl-4-pyridin-1-iumyl)-3-butyn-2-ol iodide IUPAC Name: 2-methyl-4-(1-methylpyridin-1-ium-4-yl)but-3-yn-2-ol iodide Traditional Name: 2-methyl-4-(1-methylpyridin-1-ium-4-yl)but-3-yn-2-ol iodide Formula: C11H14INO MolecularWeight: 303.13943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=[N+](C=C1)C)O.[I-]

Isomeric SMILES

CC(C)(C#CC1=CC=[N+](C=C1)C)O.[I-]

InChI

InChI=1S/C11H14NO.HI/c1-11(2,13)7-4-10-5-8-12(3)9-6-10;/h5-6,8-9,13H,1-3H3;1H/q+1;/p-1