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

Systemtic Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: N-[2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]acetamide IUPAC Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C13H22N4O+2 MolecularWeight: 250.33998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(=O)NCC[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C13H20N4O/c1-12(18)14-6-7-16-8-10-17(11-9-16)13-4-2-3-5-15-13/h2-5H,6-11H2,1H3,(H,14,18)/p+2