(2Z)-2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide

Systemtic Name: (2Z)-2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide Openeye Name: (2Z)-2-[(1-methylpyridin-1-ium-3-yl)methylene]cyclohexanone iodide CAS Name: (2Z)-2-[(1-methyl-3-pyridin-1-iumyl)methylidene]-1-cyclohexanone iodide IUPAC Name: (2Z)-2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide Traditional Name: (2Z)-2-[(1-methylpyridin-1-ium-3-yl)methylene]cyclohexanone iodide Formula: C13H16INO MolecularWeight: 329.17671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C=C2CCCCC2=O.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)/C=C\2/CCCCC2=O.[I-]

InChI

InChI=1S/C13H16NO.HI/c1-14-8-4-5-11(10-14)9-12-6-2-3-7-13(12)15;/h4-5,8-10H,2-3,6-7H2,1H3;1H/q+1;/p-1/b12-9-;