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

Systemtic Name: (2Z)-2-[(1-methylpyridin-1-ium-4-yl)methylidene]cyclohexan-1-one iodide Openeye Name: (2Z)-2-[(1-methylpyridin-1-ium-4-yl)methylene]cyclohexanone iodide CAS Name: (2Z)-2-[(1-methyl-4-pyridin-1-iumyl)methylidene]-1-cyclohexanone iodide IUPAC Name: (2Z)-2-[(1-methylpyridin-1-ium-4-yl)methylidene]cyclohexan-1-one iodide Traditional Name: (2Z)-2-[(1-methylpyridin-1-ium-4-yl)methylene]cyclohexanone iodide Formula: C13H16INO MolecularWeight: 329.17671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16NO.HI/c1-14-8-6-11(7-9-14)10-12-4-2-3-5-13(12)15;/h6-10H,2-5H2,1H3;1H/q+1;/p-1/b12-10-;