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

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CS2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CS2)C3=NC=CC=N3

InChI

InChI=1S/C16H21N5OS/c22-15(17-7-4-14-3-1-12-23-14)13-20-8-10-21(11-9-20)16-18-5-2-6-19-16/h1-3,5-6,12H,4,7-11,13H2,(H,17,22)/p+1