2-(4-cyano-2-ethoxy-phenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3/c1-2-29-22-16-19(17-24)8-9-21(22)30-18-23(28)25-10-11-26-12-14-27(15-13-26)20-6-4-3-5-7-20/h3-9,16H,2,10-15,18H2,1H3,(H,25,28)/p+1