2-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[2-(3-methylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-ium-1-yl]acetate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC(=O)[O-]

InChI

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