2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclohexan-1-one bromide

Systemtic Name: 2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclohexan-1-one bromide Openeye Name: 2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclohexanone bromide CAS Name: 2-[2-(4-methyl-1-pyridin-1-iumyl)ethyl]-1-cyclohexanone bromide IUPAC Name: 2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclohexan-1-one bromide Traditional Name: 2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclohexanone bromide Formula: C14H20BrNO MolecularWeight: 298.2187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCC2CCCCC2=O.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CCC2CCCCC2=O.[Br-]

InChI

InChI=1S/C14H20NO.BrH/c1-12-6-9-15(10-7-12)11-8-13-4-2-3-5-14(13)16;/h6-7,9-10,13H,2-5,8,11H2,1H3;1H/q+1;/p-1