N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[4-(phenylcarbonyl)phenoxy]ethanamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[4-(phenylcarbonyl)phenoxy]ethanamide Openeye Name: 2-(4-benzoylphenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(4-benzoylphenoxy)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(4-benzoylphenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(4-benzoylphenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-2-29-16-18-30(19-17-29)25-11-7-6-10-24(25)28-26(31)20-33-23-14-12-22(13-15-23)27(32)21-8-4-3-5-9-21/h3-15H,2,16-20H2,1H3,(H,28,31)/p+1