1-prop-2-ynoxy-3-pyridin-1-ium-1-yl-propan-2-ol bromide

Systemtic Name: 1-prop-2-ynoxy-3-pyridin-1-ium-1-yl-propan-2-ol bromide Openeye Name: 1-prop-2-ynoxy-3-pyridin-1-ium-1-yl-propan-2-ol bromide CAS Name: 1-prop-2-ynoxy-3-(1-pyridin-1-iumyl)-2-propanol bromide IUPAC Name: 1-prop-2-ynoxy-3-pyridin-1-ium-1-ylpropan-2-ol bromide Traditional Name: 1-propargyloxy-3-pyridin-1-ium-1-yl-propan-2-ol bromide Formula: C11H14BrNO2 MolecularWeight: 272.13836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14NO2.BrH/c1-2-8-14-10-11(13)9-12-6-4-3-5-7-12;/h1,3-7,11,13H,8-10H2;1H/q+1;/p-1