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

Systemtic Name: 2-[4-[2-(2-cyanophenyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[2-(2-cyanophenyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C24H28N4O2/c1-3-27(4-2)23(29)18-26-13-15-28(16-14-26)24(30)22-12-8-7-11-21(22)20-10-6-5-9-19(20)17-25/h5-12H,3-4,13-16,18H2,1-2H3/p+1