N-(2-cyanoethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C15H22N5O+ MolecularWeight: 288.36808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC#N)CC2=CC=CC=N2

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC#N)CC2=CC=CC=N2

InChI

InChI=1S/C15H21N5O/c16-5-3-7-18-15(21)13-20-10-8-19(9-11-20)12-14-4-1-2-6-17-14/h1-2,4,6H,3,7-13H2,(H,18,21)/p+1