3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-ol bromide

Systemtic Name: 3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-ol bromide Openeye Name: 3-[4-(2-pyridyl)pyridin-1-ium-1-yl]propan-1-ol bromide CAS Name: 3-[4-(2-pyridinyl)-1-pyridin-1-iumyl]-1-propanol bromide IUPAC Name: 3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-ol bromide Traditional Name: 3-[4-(2-pyridyl)pyridin-1-ium-1-yl]propan-1-ol bromide Formula: C13H15BrN2O MolecularWeight: 295.175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=[N+](C=C2)CCCO.[Br-]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=[N+](C=C2)CCCO.[Br-]

InChI

InChI=1S/C13H15N2O.BrH/c16-11-3-8-15-9-5-12(6-10-15)13-4-1-2-7-14-13;/h1-2,4-7,9-10,16H,3,8,11H2;1H/q+1;/p-1