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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H24N4O3S+2 MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N4O3S/c26-20(23-21-22-16-3-1-2-4-19(16)29-21)13-25-9-7-24(8-10-25)12-15-5-6-17-18(11-15)28-14-27-17/h1-6,11H,7-10,12-14H2,(H,22,23,26)/p+2