5-[2-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]ethanoyl]-5-methyl-3-propyl-oxolan-2-one bromide

Systemtic Name: 5-[2-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]ethanoyl]-5-methyl-3-propyl-oxolan-2-one bromide Openeye Name: 5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-3-propyl-tetrahydrofuran-2-one bromide CAS Name: 5-[2-(3,5-dibromo-1-pyridin-1-iumyl)-1-oxoethyl]-5-methyl-3-propyl-2-oxolanone bromide IUPAC Name: 5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-3-propyloxolan-2-one bromide Traditional Name: 5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-3-propyl-tetrahydrofuran-2-one bromide Formula: C15H18Br3NO3 MolecularWeight: 500.02032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(OC1=O)(C)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-]

Isomeric SMILES

CCCC1CC(OC1=O)(C)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-]

InChI

InChI=1S/C15H18Br2NO3.BrH/c1-3-4-10-6-15(2,21-14(10)20)13(19)9-18-7-11(16)5-12(17)8-18;/h5,7-8,10H,3-4,6,9H2,1-2H3;1H/q+1;/p-1