2-[2-[(E)-[4-(phenylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(E)-[4-(phenylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenoxy]ethanoate Openeye Name: 2-[2-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]acetate CAS Name: 2-[2-[(E)-[4-(phenylmethyl)-1-piperazin-4-iumyl]iminomethyl]phenoxy]acetate IUPAC Name: 2-[2-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]acetate Traditional Name: 2-[2-[(E)-(4-benzylpiperazin-4-ium-1-yl)iminomethyl]phenoxy]acetate Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)N=CC3=CC=CC=C3OCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/N=C/C3=CC=CC=C3OCC(=O)[O-]

InChI

InChI=1S/C20H23N3O3/c24-20(25)16-26-19-9-5-4-8-18(19)14-21-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2,(H,24,25)/b21-14+