N-propan-2-yl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-propan-2-yl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-isopropyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: 2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-isopropyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Formula: C16H27N5O2+2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)NC(=O)CNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C16H25N5O2/c1-13(2)19-15(22)11-18-16(23)12-20-7-9-21(10-8-20)14-5-3-4-6-17-14/h3-6,13H,7-12H2,1-2H3,(H,18,23)(H,19,22)/p+2