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

Systemtic Name: 2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclopentan-1-one bromide Openeye Name: 2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclopentanone bromide CAS Name: 2-[2-(4-methyl-1-pyridin-1-iumyl)ethyl]-1-cyclopentanone bromide IUPAC Name: 2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclopentan-1-one bromide Traditional Name: 2-[2-(4-methylpyridin-1-ium-1-yl)ethyl]cyclopentanone bromide Formula: C13H18BrNO MolecularWeight: 284.19212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCC2CCCC2=O.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CCC2CCCC2=O.[Br-]

InChI

InChI=1S/C13H18NO.BrH/c1-11-5-8-14(9-6-11)10-7-12-3-2-4-13(12)15;/h5-6,8-9,12H,2-4,7,10H2,1H3;1H/q+1;/p-1