3-methyl-1-(1-prop-2-enylpyridin-1-ium-2-yl)pentan-1-one bromide

Systemtic Name: 3-methyl-1-(1-prop-2-enylpyridin-1-ium-2-yl)pentan-1-one bromide Openeye Name: 1-(1-allylpyridin-1-ium-2-yl)-3-methyl-pentan-1-one bromide CAS Name: 3-methyl-1-(1-prop-2-enyl-2-pyridin-1-iumyl)-1-pentanone bromide IUPAC Name: 3-methyl-1-(1-prop-2-enylpyridin-1-ium-2-yl)pentan-1-one bromide Traditional Name: 1-(1-allylpyridin-1-ium-2-yl)-3-methyl-pentan-1-one bromide Formula: C14H20BrNO MolecularWeight: 298.2187

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)C1=CC=CC=[N+]1CC=C.[Br-]

Isomeric SMILES

CCC(C)CC(=O)C1=CC=CC=[N+]1CC=C.[Br-]

InChI

InChI=1S/C14H20NO.BrH/c1-4-9-15-10-7-6-8-13(15)14(16)11-12(3)5-2;/h4,6-8,10,12H,1,5,9,11H2,2-3H3;1H/q+1;/p-1