2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]acetamide Formula: C17H24N4OS+2 MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CS2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CS2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H22N4OS/c22-17(19-8-6-15-4-3-13-23-15)14-20-9-11-21(12-10-20)16-5-1-2-7-18-16/h1-5,7,13H,6,8-12,14H2,(H,19,22)/p+2