2-[1-methyl-6-(2-oxidanylidenecyclohexyl)pyridin-1-ium-2-yl]cyclohexan-1-one iodide

Systemtic Name: 2-[1-methyl-6-(2-oxidanylidenecyclohexyl)pyridin-1-ium-2-yl]cyclohexan-1-one iodide Openeye Name: 2-[1-methyl-6-(2-oxocyclohexyl)pyridin-1-ium-2-yl]cyclohexanone iodide CAS Name: 2-[1-methyl-6-(2-oxocyclohexyl)-2-pyridin-1-iumyl]-1-cyclohexanone iodide IUPAC Name: 2-[1-methyl-6-(2-oxocyclohexyl)pyridin-1-ium-2-yl]cyclohexan-1-one iodide Traditional Name: 2-[6-(2-ketocyclohexyl)-1-methyl-pyridin-1-ium-2-yl]cyclohexanone iodide Formula: C18H24INO2 MolecularWeight: 413.29313

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC=C1C2CCCCC2=O)C3CCCCC3=O.[I-]

Isomeric SMILES

C[N+]1=C(C=CC=C1C2CCCCC2=O)C3CCCCC3=O.[I-]

InChI

InChI=1S/C18H24NO2.HI/c1-19-15(13-7-2-4-11-17(13)20)9-6-10-16(19)14-8-3-5-12-18(14)21;/h6,9-10,13-14H,2-5,7-8,11-12H2,1H3;1H/q+1;/p-1