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

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 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 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 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 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 Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/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/p+1