2-acetyloxyethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide

Systemtic Name: 2-acetyloxyethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide Openeye Name: 2-acetoxyethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide CAS Name: 1-phenacyl-3-pyridin-1-iumcarboxylic acid 2-acetyloxyethyl ester bromide IUPAC Name: 2-acetyloxyethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide Traditional Name: 1-phenacylpyridin-1-ium-3-carboxylic acid 2-acetoxyethyl ester bromide Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO5.BrH/c1-14(20)23-10-11-24-18(22)16-8-5-9-19(12-16)13-17(21)15-6-3-2-4-7-15;/h2-9,12H,10-11,13H2,1H3;1H/q+1;/p-1