N-(2-cyanoethyl)-N-phenyl-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-piperazin-1-ium-1-yl-acetamide Formula: C15H21N4O+ MolecularWeight: 273.35344

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C15H20N4O/c16-7-4-10-19(14-5-2-1-3-6-14)15(20)13-18-11-8-17-9-12-18/h1-3,5-6,17H,4,8-13H2/p+1