2-[4-[2-(3-ethanoylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(3-ethanoylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-(3-acetylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(3-acetylphenoxy)acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O4/c1-16(24)17-5-4-6-18(13-17)27-15-20(26)23-11-9-21(10-12-23)14-19(25)22-7-2-3-8-22/h4-6,13H,2-3,7-12,14-15H2,1H3/p+1