2-(4-phenoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-phenoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-phenoxyphenoxy)ethanone CAS Name: 2-(4-phenoxyphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-phenoxyphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-phenoxyphenoxy)ethanone Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3/c28-25(27-17-15-26(16-18-27)19-21-7-3-1-4-8-21)20-29-22-11-13-24(14-12-22)30-23-9-5-2-6-10-23/h1-14H,15-20H2/p+1