2-[4-(phenylcarbonyl)phenoxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[4-(phenylcarbonyl)phenoxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylphenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-benzoylphenoxy)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-benzoylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-benzoylphenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

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