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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-thiazol-2-yl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-(4-piperonylpiperazine-1,4-diium-1-yl)-N-thiazol-2-yl-acetamide Formula: C17H22N4O3S+2 MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c22-16(19-17-18-3-8-25-17)11-21-6-4-20(5-7-21)10-13-1-2-14-15(9-13)24-12-23-14/h1-3,8-9H,4-7,10-12H2,(H,18,19,22)/p+2