4-[3-ethanoyl-4-methyl-1-(1-methylpyridin-1-ium-4-yl)-4-oxidanyl-cyclohexyl]butan-2-one iodide

Systemtic Name: 4-[3-ethanoyl-4-methyl-1-(1-methylpyridin-1-ium-4-yl)-4-oxidanyl-cyclohexyl]butan-2-one iodide Openeye Name: 4-[3-acetyl-4-hydroxy-4-methyl-1-(1-methylpyridin-1-ium-4-yl)cyclohexyl]butan-2-one iodide CAS Name: 4-[3-acetyl-4-hydroxy-4-methyl-1-(1-methyl-4-pyridin-1-iumyl)cyclohexyl]-2-butanone iodide IUPAC Name: 4-[3-acetyl-4-hydroxy-4-methyl-1-(1-methylpyridin-1-ium-4-yl)cyclohexyl]butan-2-one iodide Traditional Name: 4-[3-acetyl-4-hydroxy-4-methyl-1-(1-methylpyridin-1-ium-4-yl)cyclohexyl]butan-2-one iodide Formula: C19H28INO3 MolecularWeight: 445.33499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(CCC(C(C1)C(=O)C)(C)O)C2=CC=[N+](C=C2)C.[I-]

Isomeric SMILES

CC(=O)CCC1(CCC(C(C1)C(=O)C)(C)O)C2=CC=[N+](C=C2)C.[I-]

InChI

InChI=1S/C19H28NO3.HI/c1-14(21)5-8-19(16-6-11-20(4)12-7-16)10-9-18(3,23)17(13-19)15(2)22;/h6-7,11-12,17,23H,5,8-10,13H2,1-4H3;1H/q+1;/p-1