ethyl 5-[2-(3-bromanylpyridin-1-ium-1-yl)ethanoyl]-3-ethyl-5-methyl-2-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: ethyl 5-[2-(3-bromanylpyridin-1-ium-1-yl)ethanoyl]-3-ethyl-5-methyl-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-3-ethyl-5-methyl-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: 5-[2-(3-bromo-1-pyridin-1-iumyl)-1-oxoethyl]-3-ethyl-5-methyl-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-3-ethyl-5-methyl-2-oxooxolane-3-carboxylate Traditional Name: 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-3-ethyl-2-keto-5-methyl-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C17H21BrNO5+ MolecularWeight: 399.25634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(OC1=O)(C)C(=O)C[N+]2=CC=CC(=C2)Br)C(=O)OCC

Isomeric SMILES

CCC1(CC(OC1=O)(C)C(=O)C[N+]2=CC=CC(=C2)Br)C(=O)OCC

InChI

InChI=1S/C17H21BrNO5/c1-4-17(14(21)23-5-2)11-16(3,24-15(17)22)13(20)10-19-8-6-7-12(18)9-19/h6-9H,4-5,10-11H2,1-3H3/q+1