2-(4-phenylmethoxyphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-phenylmethoxyphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-benzyloxyphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-phenylmethoxyphenoxy)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-phenylmethoxyphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-benzoxyphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C24H26N3O3+ MolecularWeight: 404.48154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3/c28-24(27-16-14-26(15-17-27)23-8-4-5-13-25-23)19-30-22-11-9-21(10-12-22)29-18-20-6-2-1-3-7-20/h1-13H,14-19H2/p+1