2-[4-(3-cyanophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(3-cyanophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(3-cyanobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(3-cyanobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(3-cyanobenzoyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c1-16-5-3-6-17(2)21(16)24-20(27)15-25-9-11-26(12-10-25)22(28)19-8-4-7-18(13-19)14-23/h3-8,13H,9-12,15H2,1-2H3,(H,24,27)/p+1