1-(3-methoxy-2-methyl-pyridin-1-ium-1-yl)butan-2-one bromide

Systemtic Name: 1-(3-methoxy-2-methyl-pyridin-1-ium-1-yl)butan-2-one bromide Openeye Name: 1-(3-methoxy-2-methyl-pyridin-1-ium-1-yl)butan-2-one bromide CAS Name: 1-(3-methoxy-2-methyl-1-pyridin-1-iumyl)-2-butanone bromide IUPAC Name: 1-(3-methoxy-2-methylpyridin-1-ium-1-yl)butan-2-one bromide Traditional Name: 1-(3-methoxy-2-methyl-pyridin-1-ium-1-yl)butan-2-one bromide Formula: C11H16BrNO2 MolecularWeight: 274.15424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C[N+]1=CC=CC(=C1C)OC.[Br-]

Isomeric SMILES

CCC(=O)C[N+]1=CC=CC(=C1C)OC.[Br-]

InChI

InChI=1S/C11H16NO2.BrH/c1-4-10(13)8-12-7-5-6-11(14-3)9(12)2;/h5-7H,4,8H2,1-3H3;1H/q+1;/p-1