methyl 2-[2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]acetyl]amino]acetic acid methyl ester Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c1-29-21(27)14-24-20(26)13-19-22(28)23-10-11-25(19)15-16-6-5-9-18(12-16)30-17-7-3-2-4-8-17/h2-9,12,19H,10-11,13-15H2,1H3,(H,23,28)(H,24,26)/p+1/t19-/m1/s1