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

Systemtic Name: 2-[2-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenoxy]ethanoate Openeye Name: 2-[2-[(E)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenoxy]acetate CAS Name: 2-[2-[(E)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]iminomethyl]phenoxy]acetate IUPAC Name: 2-[2-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenoxy]acetate Traditional Name: 2-[2-[(E)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenoxy]acetate Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=CC=CC=C4OCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C/C4=CC=CC=C4OCC(=O)[O-]

InChI

InChI=1S/C24H25N3O3/c28-24(29)18-30-23-11-4-2-7-20(23)16-25-27-14-12-26(13-15-27)17-21-9-5-8-19-6-1-3-10-22(19)21/h1-11,16H,12-15,17-18H2,(H,28,29)/b25-16+