N-(2-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C18H22N4OS+2 MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C18H20N4OS/c19-12-15-4-1-2-6-17(15)20-18(23)14-22-9-7-21(8-10-22)13-16-5-3-11-24-16/h1-6,11H,7-10,13-14H2,(H,20,23)/p+2