5-[2-(3-bromanylpyridin-1-ium-1-yl)ethanoyl]-5-methyl-oxolan-2-one bromide

Systemtic Name: 5-[2-(3-bromanylpyridin-1-ium-1-yl)ethanoyl]-5-methyl-oxolan-2-one bromide Openeye Name: 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-5-methyl-tetrahydrofuran-2-one bromide CAS Name: 5-[2-(3-bromo-1-pyridin-1-iumyl)-1-oxoethyl]-5-methyl-2-oxolanone bromide IUPAC Name: 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-5-methyloxolan-2-one bromide Traditional Name: 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-5-methyl-tetrahydrofuran-2-one bromide Formula: C12H13Br2NO3 MolecularWeight: 379.04452

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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

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

InChI

InChI=1S/C12H13BrNO3.BrH/c1-12(5-4-11(16)17-12)10(15)8-14-6-2-3-9(13)7-14;/h2-3,6-7H,4-5,8H2,1H3;1H/q+1;/p-1