2-[2-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]ethanoate

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-[2-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]acetate CAS Name: 2-[2-[4-(4-methoxyphenyl)-1-piperazin-4-iumyl]-2-oxoethoxy]acetate IUPAC Name: 2-[2-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]-2-oxoethoxy]acetate Traditional Name: 2-[2-keto-2-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]ethoxy]acetate Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[NH+]2CCN(CC2)C(=O)COCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[NH+]2CCN(CC2)C(=O)COCC(=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-21-13-4-2-12(3-5-13)16-6-8-17(9-7-16)14(18)10-22-11-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)