2-(2-azanyl-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(2-azanyl-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-N-(1,3-benzodioxol-5-yl)acetamide Formula: C13H15N4O3S+ MolecularWeight: 307.3482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](=C(S1)N)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=N[N+](=C(S1)N)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14N4O3S/c1-2-12-16-17(13(14)21-12)6-11(18)15-8-3-4-9-10(5-8)20-7-19-9/h3-5,14H,2,6-7H2,1H3,(H,15,18)/p+1