2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentan-1-one iodide

Systemtic Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentan-1-one iodide Openeye Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentanone iodide CAS Name: 2-[(1-methyl-4-pyridin-1-iumyl)methyl]-1-cyclopentanone iodide IUPAC Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentan-1-one iodide Traditional Name: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclopentanone iodide Formula: C12H16INO MolecularWeight: 317.16601

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC2CCCC2=O.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC2CCCC2=O.[I-]

InChI

InChI=1S/C12H16NO.HI/c1-13-7-5-10(6-8-13)9-11-3-2-4-12(11)14;/h5-8,11H,2-4,9H2,1H3;1H/q+1;/p-1