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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C19H22N4O3S+2 MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c20-10-15-3-8-27-19(15)21-18(24)12-23-6-4-22(5-7-23)11-14-1-2-16-17(9-14)26-13-25-16/h1-3,8-9H,4-7,11-13H2,(H,21,24)/p+2