1-(4-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-bromophenyl)-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-(3-methylolpyridin-1-ium-1-yl)ethanone bromide Formula: C14H13Br2NO2 MolecularWeight: 387.06652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Br)CO.[Br-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)Br)CO.[Br-]

InChI

InChI=1S/C14H13BrNO2.BrH/c15-13-5-3-12(4-6-13)14(18)9-16-7-1-2-11(8-16)10-17;/h1-8,17H,9-10H2;1H/q+1;/p-1