3,5-dibromo-1-[2-(3-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]pyridin-1-ium

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Compound number:
MolPort-002-540-098
IUPAC:
3,5-dibromo-1-[2-(3-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]pyridin-1-ium
IUPAC traditional:
3,5-dibromo-1-[2-(3-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]pyridin-1-ium
SMILES:
CCCCC1CC(=O)OC1(C)C(=O)C[n+]1cc(Br)cc(Br)c1
InChI key:
OEVAQCVDGBUIEX-UHFFFAOYSA-N
Molecular formula:
C16H20Br2NO3
Molecular weight: 434.147
Solubility: not available

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Compound Identifiers
Compound number: MolPort-002-540-098

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000001867920
ZINC000001867921
ZINC000001867922
ZINC000001867923
3,5-Dibromo-1-[2-(3-butyl-2-methyl-5-oxo-tetrahydro-furan-2-yl)-2-oxo-ethyl]-pyridinium
3,5-dibromo-1-[2-(3-butyl-2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridinium (non-preferred name)

InChI
InChI: 1S/C16H20Br2NO3/c1-3-4-5-11-6-15(21)22-16(11,2)14(20)10-19-8-12(17)7-13(18)9-19/h7-9,11H,3-6,10H2,1-2H3/q+1
InChI key: OEVAQCVDGBUIEX-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C16H20Br2NO3
Molecular weight: 434.147

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2020 MolPort, v3.71, release date 27-05-2020 12:00 (+0200). All rights reserved.
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