2-[4-[2-(4-cyanophenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

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