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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-thienylmethylcarbamoyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[oxo-(thiophen-2-ylmethylamino)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-(4-piperonylpiperazine-1,4-diium-1-yl)-N-(2-thenylcarbamoyl)acetamide Formula: C20H26N4O4S+2 MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC(=O)NCC4=CC=CS4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H24N4O4S/c25-19(22-20(26)21-11-16-2-1-9-29-16)13-24-7-5-23(6-8-24)12-15-3-4-17-18(10-15)28-14-27-17/h1-4,9-10H,5-8,11-14H2,(H2,21,22,25,26)/p+2