ethyl 5-[2-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]ethanoyl]-3-butyl-5-methyl-2-oxidanylidene-oxolane-3-carboxylate bromide

Systemtic Name: ethyl 5-[2-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]ethanoyl]-3-butyl-5-methyl-2-oxidanylidene-oxolane-3-carboxylate bromide Openeye Name: ethyl 3-butyl-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-2-oxo-tetrahydrofuran-3-carboxylate bromide CAS Name: 3-butyl-5-[2-(3,5-dibromo-1-pyridin-1-iumyl)-1-oxoethyl]-5-methyl-2-oxo-3-oxolanecarboxylic acid ethyl ester bromide IUPAC Name: ethyl 3-butyl-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-2-oxooxolane-3-carboxylate bromide Traditional Name: 3-butyl-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-2-keto-5-methyl-tetrahydrofuran-3-carboxylic acid ethyl ester bromide Formula: C19H24Br3NO5 MolecularWeight: 586.10956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(OC1=O)(C)C(=O)C[N+]2=CC(=CC(=C2)Br)Br)C(=O)OCC.[Br-]

Isomeric SMILES

CCCCC1(CC(OC1=O)(C)C(=O)C[N+]2=CC(=CC(=C2)Br)Br)C(=O)OCC.[Br-]

InChI

InChI=1S/C19H24Br2NO5.BrH/c1-4-6-7-19(16(24)26-5-2)12-18(3,27-17(19)25)15(23)11-22-9-13(20)8-14(21)10-22;/h8-10H,4-7,11-12H2,1-3H3;1H/q+1;/p-1