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

Systemtic Name: [2-(4-butyl-2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]-pyridin-2-yl-azanium bromide Openeye Name: [2-(4-butyl-2-methyl-5-oxo-tetrahydrofuran-2-yl)-2-oxo-ethyl]-(2-pyridyl)ammonium bromide CAS Name: [2-(4-butyl-2-methyl-5-oxo-2-oxolanyl)-2-oxoethyl]-(2-pyridinyl)ammonium bromide IUPAC Name: [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-pyridin-2-ylazanium bromide Traditional Name: [2-(4-butyl-5-keto-2-methyl-tetrahydrofuran-2-yl)-2-keto-ethyl]-(2-pyridyl)ammonium bromide Formula: C16H23BrN2O3 MolecularWeight: 371.26942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=CC=CC=N2.[Br-]

Isomeric SMILES

CCCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=CC=CC=N2.[Br-]

InChI

InChI=1S/C16H22N2O3.BrH/c1-3-4-7-12-10-16(2,21-15(12)20)13(19)11-18-14-8-5-6-9-17-14;/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,18);1H