2-[4-[2-(2-cyanophenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(2-cyanophenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(2-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-(2-cyanophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(2-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-(2-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C23H26N4O3/c1-17-6-5-7-18(2)23(17)25-21(28)15-26-10-12-27(13-11-26)22(29)16-30-20-9-4-3-8-19(20)14-24/h3-9H,10-13,15-16H2,1-2H3,(H,25,28)/p+1