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

Systemtic Name: [2-(4-ethoxycarbonyl-4-hexyl-2-methyl-5-oxidanylidene-oxolan-2-yl)-2-oxidanylidene-ethyl]-(1,3,4-thiadiazol-2-yl)azanium bromide Openeye Name: [2-(4-ethoxycarbonyl-4-hexyl-2-methyl-5-oxo-tetrahydrofuran-2-yl)-2-oxo-ethyl]-(1,3,4-thiadiazol-2-yl)ammonium bromide CAS Name: [2-(4-ethoxycarbonyl-4-hexyl-2-methyl-5-oxo-2-oxolanyl)-2-oxoethyl]-(1,3,4-thiadiazol-2-yl)ammonium bromide IUPAC Name: [2-(4-ethoxycarbonyl-4-hexyl-2-methyl-5-oxooxolan-2-yl)-2-oxoethyl]-(1,3,4-thiadiazol-2-yl)azanium bromide Traditional Name: [2-(4-carbethoxy-4-hexyl-5-keto-2-methyl-tetrahydrofuran-2-yl)-2-keto-ethyl]-(1,3,4-thiadiazol-2-yl)ammonium bromide Formula: C18H28BrN3O5S MolecularWeight: 478.40102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CC(OC1=O)(C)C(=O)C[NH2+]C2=NN=CS2)C(=O)OCC.[Br-]

Isomeric SMILES

CCCCCCC1(CC(OC1=O)(C)C(=O)C[NH2+]C2=NN=CS2)C(=O)OCC.[Br-]

InChI

InChI=1S/C18H27N3O5S.BrH/c1-4-6-7-8-9-18(14(23)25-5-2)11-17(3,26-15(18)24)13(22)10-19-16-21-20-12-27-16;/h12H,4-11H2,1-3H3,(H,19,21);1H