2-oxidanylidene-2-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]ethanoate

Systemtic Name: 2-oxidanylidene-2-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]ethanoate Openeye Name: 2-oxo-2-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]acetate CAS Name: 2-oxo-2-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]-1-piperazin-4-iumyl]acetate IUPAC Name: 2-oxo-2-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]acetate Traditional Name: 2-keto-2-[4-[(1R)-1-(4-phenoxyphenyl)ethyl]piperazin-4-ium-1-yl]acetate Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C(=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C(=O)[O-]

InChI

InChI=1S/C20H22N2O4/c1-15(21-11-13-22(14-12-21)19(23)20(24)25)16-7-9-18(10-8-16)26-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,24,25)/t15-/m1/s1