1-pyridin-1-ium-4-ylpropan-1-one bromide

Systemtic Name: 1-pyridin-1-ium-4-ylpropan-1-one bromide Openeye Name: 1-pyridin-1-ium-4-ylpropan-1-one bromide CAS Name: 1-(4-pyridin-1-iumyl)-1-propanone bromide IUPAC Name: 1-pyridin-1-ium-4-ylpropan-1-one bromide Traditional Name: 1-pyridin-1-ium-4-ylpropan-1-one bromide Formula: C8H10BrNO MolecularWeight: 216.0751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO.BrH/c1-2-8(10)7-3-5-9-6-4-7;/h3-6H,2H2,1H3;1H