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

Systemtic Name: 2-(4-phenylmethoxyphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-benzyloxyphenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-phenylmethoxyphenoxy)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-phenylmethoxyphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-benzoxyphenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c29-25(28-16-14-27(15-17-28)18-21-10-12-26-13-11-21)20-31-24-8-6-23(7-9-24)30-19-22-4-2-1-3-5-22/h1-13H,14-20H2/p+1