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

Systemtic Name: 2-[2-(phenylmethyl)phenoxy]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-benzylphenoxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[2-(phenylmethyl)phenoxy]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-benzylphenoxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(2-benzylphenoxy)-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C26H29N2O2+ MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c29-26(28-17-15-27(16-18-28)20-23-11-5-2-6-12-23)21-30-25-14-8-7-13-24(25)19-22-9-3-1-4-10-22/h1-14H,15-21H2/p+1