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

Systemtic Name: 5-[2-[3,5-bis(bromanyl)pyridin-1-ium-1-yl]ethanoyl]-5-(2-methylpropyl)oxolan-2-one Openeye Name: 5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-isobutyl-tetrahydrofuran-2-one CAS Name: 5-[2-(3,5-dibromo-1-pyridin-1-iumyl)-1-oxoethyl]-5-(2-methylpropyl)-2-oxolanone IUPAC Name: 5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-(2-methylpropyl)oxolan-2-one Traditional Name: 5-[2-(3,5-dibromopyridin-1-ium-1-yl)acetyl]-5-isobutyl-tetrahydrofuran-2-one Formula: C15H18Br2NO3+ MolecularWeight: 420.11632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18Br2NO3/c1-10(2)6-15(4-3-14(20)21-15)13(19)9-18-7-11(16)5-12(17)8-18/h5,7-8,10H,3-4,6,9H2,1-2H3/q+1