[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[2-(phenylmethyl)phenoxy]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[2-(phenylmethyl)phenoxy]ethanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(2-benzylphenoxy)acetate CAS Name: 2-[2-(phenylmethyl)phenoxy]acetic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-(2-benzylphenoxy)acetate Traditional Name: 2-(2-benzylphenoxy)acetic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C26H28N3O4+ MolecularWeight: 446.51822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)COC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)COC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c30-25(29-16-14-28(15-17-29)24-12-6-7-13-27-24)19-33-26(31)20-32-23-11-5-4-10-22(23)18-21-8-2-1-3-9-21/h1-13H,14-20H2/p+1