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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(OC1=O)(C)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-]

Isomeric SMILES

CC(C)C1CC(OC1=O)(C)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-]

InChI

InChI=1S/C15H18Br2NO3.BrH/c1-9(2)12-5-15(3,21-14(12)20)13(19)8-18-6-10(16)4-11(17)7-18;/h4,6-7,9,12H,5,8H2,1-3H3;1H/q+1;/p-1