N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-cyanophenoxy)ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-cyanophenoxy)ethanamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-cyanophenoxy)acetamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(4-cyanophenoxy)acetamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-cyanophenoxy)acetamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(4-cyanophenoxy)acetamide Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23ClN4O2/c1-2-25-9-11-26(12-10-25)20-8-5-17(22)13-19(20)24-21(27)15-28-18-6-3-16(14-23)4-7-18/h3-8,13H,2,9-12,15H2,1H3,(H,24,27)/p+1