2-(3-phenoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3-phenoxyphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenoxy)ethanone CAS Name: 2-(3-phenoxyphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-phenoxyphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-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=CC(=C3)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

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