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

Systemtic Name: 2-(4-phenylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-phenylphenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-phenylphenoxy)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-phenylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-phenylphenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C24H26N3O2+ MolecularWeight: 388.48214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2/c28-24(27-16-14-26(15-17-27)18-20-10-12-25-13-11-20)19-29-23-8-6-22(7-9-23)21-4-2-1-3-5-21/h1-13H,14-19H2/p+1