2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]-N-(2-thenyl)acetamide Formula: C17H20N5OS+ MolecularWeight: 342.4386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CS2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CS2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C17H19N5OS/c18-11-14-3-4-19-16(10-14)22-7-5-21(6-8-22)13-17(23)20-12-15-2-1-9-24-15/h1-4,9-10H,5-8,12-13H2,(H,20,23)/p+1