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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(=O)O1)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-]

Isomeric SMILES

CCCCC1(CCC(=O)O1)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-]

InChI

InChI=1S/C15H18Br2NO3.BrH/c1-2-3-5-15(6-4-14(20)21-15)13(19)10-18-8-11(16)7-12(17)9-18;/h7-9H,2-6,10H2,1H3;1H/q+1;/p-1