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

Systemtic Name: 1-(1-prop-2-enylpyridin-1-ium-3-yl)butan-1-one bromide Openeye Name: 1-(1-allylpyridin-1-ium-3-yl)butan-1-one bromide CAS Name: 1-(1-prop-2-enyl-3-pyridin-1-iumyl)-1-butanone bromide IUPAC Name: 1-(1-prop-2-enylpyridin-1-ium-3-yl)butan-1-one bromide Traditional Name: 1-(1-allylpyridin-1-ium-3-yl)butan-1-one bromide Formula: C12H16BrNO MolecularWeight: 270.16554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO.BrH/c1-3-6-12(14)11-7-5-9-13(10-11)8-4-2;/h4-5,7,9-10H,2-3,6,8H2,1H3;1H/q+1;/p-1