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

Systemtic Name: 5-[2-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]ethanoyl]-3-butyl-5-methyl-oxolan-2-one bromide Openeye Name: 3-butyl-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-tetrahydrofuran-2-one bromide CAS Name: 3-butyl-5-[2-(3,5-dibromo-1-pyridin-1-iumyl)-1-oxoethyl]-5-methyl-2-oxolanone bromide IUPAC Name: 3-butyl-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyloxolan-2-one bromide Traditional Name: 3-butyl-5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-methyl-tetrahydrofuran-2-one bromide Formula: C16H20Br3NO3 MolecularWeight: 514.0469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1=O)(C)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-]

Isomeric SMILES

CCCCC1CC(OC1=O)(C)C(=O)C[N+]2=CC(=CC(=C2)Br)Br.[Br-]

InChI

InChI=1S/C16H20Br2NO3.BrH/c1-3-4-5-11-7-16(2,22-15(11)21)14(20)10-19-8-12(17)6-13(18)9-19;/h6,8-9,11H,3-5,7,10H2,1-2H3;1H/q+1;/p-1