2-[4-[2-(4-phenylmethoxyphenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(4-phenylmethoxyphenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4-benzyloxyphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[1-oxo-2-(4-phenylmethoxyphenoxy)ethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(4-benzoxyphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O4/c29-24(27-12-4-5-13-27)18-26-14-16-28(17-15-26)25(30)20-32-23-10-8-22(9-11-23)31-19-21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-20H2/p+1