2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-oxidanylidene-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-oxidanylidene-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-oxothiazol-2-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(4-oxo-2-thiazolyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(4-oxo-1,3-thiazol-2-yl)acetamide Traditional Name: N-(4-keto-2-thiazolin-2-yl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C17H22N4O4S+2 MolecularWeight: 378.44598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=NC(=O)CS4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=NC(=O)CS4

InChI

InChI=1S/C17H20N4O4S/c22-15(18-17-19-16(23)10-26-17)9-21-5-3-20(4-6-21)8-12-1-2-13-14(7-12)25-11-24-13/h1-2,7H,3-6,8-11H2,(H,18,19,22,23)/p+2