methyl 1-phenacylpyridin-1-ium-3-carboxylate bromide

Systemtic Name: methyl 1-phenacylpyridin-1-ium-3-carboxylate bromide Openeye Name: methyl 1-phenacylpyridin-1-ium-3-carboxylate bromide CAS Name: 1-phenacyl-3-pyridin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-phenacylpyridin-1-ium-3-carboxylate bromide Traditional Name: 1-phenacylpyridin-1-ium-3-carboxylic acid methyl ester bromide Formula: C15H14BrNO3 MolecularWeight: 336.18056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14NO3.BrH/c1-19-15(18)13-8-5-9-16(10-13)11-14(17)12-6-3-2-4-7-12;/h2-10H,11H2,1H3;1H/q+1;/p-1