2-[4-[2-(2-cyanophenyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(2-cyanophenyl)phenyl]carbonylpiperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[[2-(2-cyanophenyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(2-cyanophenyl)benzoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N)C

InChI

InChI=1S/C28H28N4O2/c1-20-8-7-13-26(21(20)2)30-27(33)19-31-14-16-32(17-15-31)28(34)25-12-6-5-11-24(25)23-10-4-3-9-22(23)18-29/h3-13H,14-17,19H2,1-2H3,(H,30,33)/p+1