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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-(4-piperonylpiperazine-1,4-diium-1-yl)-N-[2-(2-thienyl)ethyl]acetamide Formula: C20H27N3O3S+2 MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C20H25N3O3S/c24-20(21-6-5-17-2-1-11-27-17)14-23-9-7-22(8-10-23)13-16-3-4-18-19(12-16)26-15-25-18/h1-4,11-12H,5-10,13-15H2,(H,21,24)/p+2