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

Systemtic Name: 5-[2-(3-bromanylpyridin-1-ium-1-yl)ethanoyl]-5-methyl-3-(3-methylbutyl)oxolan-2-one bromide Openeye Name: 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-3-isopentyl-5-methyl-tetrahydrofuran-2-one bromide CAS Name: 5-[2-(3-bromo-1-pyridin-1-iumyl)-1-oxoethyl]-5-methyl-3-(3-methylbutyl)-2-oxolanone bromide IUPAC Name: 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-5-methyl-3-(3-methylbutyl)oxolan-2-one bromide Traditional Name: 5-[2-(3-bromopyridin-1-ium-1-yl)acetyl]-3-isoamyl-5-methyl-tetrahydrofuran-2-one bromide Formula: C17H23Br2NO3 MolecularWeight: 449.17742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1CC(OC1=O)(C)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-]

Isomeric SMILES

CC(C)CCC1CC(OC1=O)(C)C(=O)C[N+]2=CC=CC(=C2)Br.[Br-]

InChI

InChI=1S/C17H23BrNO3.BrH/c1-12(2)6-7-13-9-17(3,22-16(13)21)15(20)11-19-8-4-5-14(18)10-19;/h4-5,8,10,12-13H,6-7,9,11H2,1-3H3;1H/q+1;/p-1