N-(4-phenoxyphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-phenoxyphenyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-phenoxyphenyl)acetamide Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c29-24(26-21-11-13-23(14-12-21)31-22-9-5-2-6-10-22)19-27-15-17-28(18-16-27)25(30)20-7-3-1-4-8-20/h1-14H,15-19H2,(H,26,29)/p+1