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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H26N4O3S+2 MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H24N4O3S/c1-14-15(2)29-21(17(14)10-22)23-20(26)12-25-7-5-24(6-8-25)11-16-3-4-18-19(9-16)28-13-27-18/h3-4,9H,5-8,11-13H2,1-2H3,(H,23,26)/p+2