ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide

Systemtic Name: ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide Openeye Name: ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide CAS Name: 1-phenacyl-3-pyridin-1-iumcarboxylic acid ethyl ester bromide IUPAC Name: ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide Traditional Name: 1-phenacylpyridin-1-ium-3-carboxylic acid ethyl ester bromide Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO3.BrH/c1-2-20-16(19)14-9-6-10-17(11-14)12-15(18)13-7-4-3-5-8-13;/h3-11H,2,12H2,1H3;1H/q+1;/p-1