2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one iodide Openeye Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexanone iodide CAS Name: 2-[(1-methyl-4-pyridin-1-iumyl)methyl]-1-cyclohexanone iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one iodide Traditional Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexanone iodide Formula: C13H18INO MolecularWeight: 331.19259

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC2CCCCC2=O.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC2CCCCC2=O.[I-]

InChI

InChI=1S/C13H18NO.HI/c1-14-8-6-11(7-9-14)10-12-4-2-3-5-13(12)15;/h6-9,12H,2-5,10H2,1H3;1H/q+1;/p-1