3-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethoxy]benzoate

Systemtic Name: 3-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethoxy]benzoate Openeye Name: 3-[2-(4-acetylpiperazin-1-ium-1-yl)ethoxy]benzoate CAS Name: 3-[2-(4-acetyl-1-piperazin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-[2-(4-acetylpiperazin-1-ium-1-yl)ethoxy]benzoate Traditional Name: 3-[2-(4-acetylpiperazin-1-ium-1-yl)ethoxy]benzoate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CCOC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-12(18)17-7-5-16(6-8-17)9-10-21-14-4-2-3-13(11-14)15(19)20/h2-4,11H,5-10H2,1H3,(H,19,20)