[2-(4-butyl-2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]-(1,3,4-thiadiazol-2-yl)azanium bromide

Systemtic Name: [2-(4-butyl-2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]-(1,3,4-thiadiazol-2-yl)azanium bromide Openeye Name: [2-(4-butyl-2-methyl-5-oxo-tetrahydrofuran-2-yl)-2-oxo-ethyl]-(1,3,4-thiadiazol-2-yl)ammonium bromide CAS Name: [2-(4-butyl-2-methyl-5-oxo-2-oxolanyl)-2-oxoethyl]-(1,3,4-thiadiazol-2-yl)ammonium bromide IUPAC Name: [2-(4-butyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-(1,3,4-thiadiazol-2-yl)azanium bromide Traditional Name: [2-(4-butyl-5-keto-2-methyl-tetrahydrofuran-2-yl)-2-keto-ethyl]-(1,3,4-thiadiazol-2-yl)ammonium bromide Formula: C13H20BrN3O3S MolecularWeight: 378.2852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=NN=CS2.[Br-]

Isomeric SMILES

CCCCC1CC(OC1=O)(C)C(=O)C[NH2+]C2=NN=CS2.[Br-]

InChI

InChI=1S/C13H19N3O3S.BrH/c1-3-4-5-9-6-13(2,19-11(9)18)10(17)7-14-12-16-15-8-20-12;/h8-9H,3-7H2,1-2H3,(H,14,16);1H