2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H24N4O2/c1-3-21(4-2)17(23)14-20-9-11-22(12-10-20)18(24)16-7-5-15(13-19)6-8-16/h5-8H,3-4,9-12,14H2,1-2H3/p+1