methyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoate bromide

Systemtic Name: methyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: methyl 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-(4-pyridin-4-yl-1-pyridin-1-iumyl)acetic acid methyl ester bromide IUPAC Name: methyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetic acid methyl ester bromide Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=C(C=C1)C2=CC=NC=C2.[Br-]

Isomeric SMILES

COC(=O)C[N+]1=CC=C(C=C1)C2=CC=NC=C2.[Br-]

InChI

InChI=1S/C13H13N2O2.BrH/c1-17-13(16)10-15-8-4-12(5-9-15)11-2-6-14-7-3-11;/h2-9H,10H2,1H3;1H/q+1;/p-1