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

Systemtic Name: (5S)-5-[2-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]ethanoyl]-5-methyl-oxolan-2-one Openeye Name: (5S)-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-tetrahydrofuran-2-one CAS Name: (5S)-5-[2-(3,5-dibromo-1-pyridin-1-iumyl)-1-oxoethyl]-5-methyl-2-oxolanone IUPAC Name: (5S)-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyloxolan-2-one Traditional Name: (5S)-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-tetrahydrofuran-2-one Formula: C12H12Br2NO3+ MolecularWeight: 378.03658

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)O1)C(=O)C[N+]2=CC(=CC(=C2)Br)Br

Isomeric SMILES

C[C@]1(CCC(=O)O1)C(=O)C[N+]2=CC(=CC(=C2)Br)Br

InChI

InChI=1S/C12H12Br2NO3/c1-12(3-2-11(17)18-12)10(16)7-15-5-8(13)4-9(14)6-15/h4-6H,2-3,7H2,1H3/q+1/t12-/m0/s1