[2-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)-2-oxidanylidene-ethyl]-pyridin-2-yl-azanium bromide

Systemtic Name: [2-(2-methyl-5-oxidanylidene-4-propyl-oxolan-2-yl)-2-oxidanylidene-ethyl]-pyridin-2-yl-azanium bromide Openeye Name: [2-(2-methyl-5-oxo-4-propyl-tetrahydrofuran-2-yl)-2-oxo-ethyl]-(2-pyridyl)ammonium bromide CAS Name: [2-(2-methyl-5-oxo-4-propyl-2-oxolanyl)-2-oxoethyl]-(2-pyridinyl)ammonium bromide IUPAC Name: [2-(2-methyl-5-oxo-4-propyloxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium bromide Traditional Name: [2-keto-2-(5-keto-2-methyl-4-propyl-tetrahydrofuran-2-yl)ethyl]-(2-pyridyl)ammonium bromide Formula: C15H21BrN2O3 MolecularWeight: 357.24284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=CC=CC=N2.[Br-]

Isomeric SMILES

CCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=CC=CC=N2.[Br-]

InChI

InChI=1S/C15H20N2O3.BrH/c1-3-6-11-9-15(2,20-14(11)19)12(18)10-17-13-7-4-5-8-16-13;/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,16,17);1H