2-(2-azanyl-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide

Systemtic Name: 2-(2-azanyl-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Openeye Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide CAS Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide IUPAC Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Traditional Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Formula: C14H16BrN3O3S MolecularWeight: 386.26414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](=C(S1)N)CC(=O)C2=CC3=C(C=C2)OCCO3.[Br-]

Isomeric SMILES

CCC1=N[N+](=C(S1)N)CC(=O)C2=CC3=C(C=C2)OCCO3.[Br-]

InChI

InChI=1S/C14H15N3O3S.BrH/c1-2-13-16-17(14(15)21-13)8-10(18)9-3-4-11-12(7-9)20-6-5-19-11;/h3-4,7,15H,2,5-6,8H2,1H3;1H