2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]ethanamide

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H27N3O4/c1-3-28-19-8-10-21(11-9-19)29-20-6-4-18(5-7-20)23-22(27)16-24-12-14-25(15-13-24)17(2)26/h4-11H,3,12-16H2,1-2H3,(H,23,27)/p+1