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

Systemtic Name: 2-[2-(phenylmethyl)phenoxy]-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-benzylphenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-[2-(phenylmethyl)phenoxy]-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-benzylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-benzylphenoxy)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2/c29-25(28-16-14-27(15-17-28)19-22-10-12-26-13-11-22)20-30-24-9-5-4-8-23(24)18-21-6-2-1-3-7-21/h1-13H,14-20H2/p+1