ethyl 2-acetyloxy-2-ethyl-3-oxidanylidene-4-pyridin-1-ium-1-yl-butanoate bromide

Systemtic Name: ethyl 2-acetyloxy-2-ethyl-3-oxidanylidene-4-pyridin-1-ium-1-yl-butanoate bromide Openeye Name: ethyl 2-acetoxy-2-ethyl-3-oxo-4-pyridin-1-ium-1-yl-butanoate bromide CAS Name: 2-acetyloxy-2-ethyl-3-oxo-4-(1-pyridin-1-iumyl)butanoic acid ethyl ester bromide IUPAC Name: ethyl 2-acetyloxy-2-ethyl-3-oxo-4-pyridin-1-ium-1-ylbutanoate bromide Traditional Name: 2-acetoxy-2-ethyl-3-keto-4-pyridin-1-ium-1-yl-butyric acid ethyl ester bromide Formula: C15H20BrNO5 MolecularWeight: 374.227

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C[N+]1=CC=CC=C1)(C(=O)OCC)OC(=O)C.[Br-]

Isomeric SMILES

CCC(C(=O)C[N+]1=CC=CC=C1)(C(=O)OCC)OC(=O)C.[Br-]

InChI

InChI=1S/C15H20NO5.BrH/c1-4-15(21-12(3)17,14(19)20-5-2)13(18)11-16-9-7-6-8-10-16;/h6-10H,4-5,11H2,1-3H3;1H/q+1;/p-1