2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenoxy]ethanoate

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenoxy]ethanoate Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]acetate CAS Name: 2-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenoxy]acetate IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]acetate Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]acetate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC(=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-15-6-8-16(9-7-15)14(19)11-2-4-12(5-3-11)20-10-13(17)18/h2-5H,6-10H2,1H3,(H,17,18)