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

Systemtic Name: ethyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanoate bromide Openeye Name: ethyl 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetate bromide CAS Name: 2-(4-pyridin-4-yl-1-pyridin-1-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)acetate bromide Traditional Name: 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]acetic acid ethyl ester bromide Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N2O2.BrH/c1-2-18-14(17)11-16-9-5-13(6-10-16)12-3-7-15-8-4-12;/h3-10H,2,11H2,1H3;1H/q+1;/p-1