ethyl 3-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]propanoate

Systemtic Name: ethyl 3-[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]propanoate Openeye Name: ethyl 3-[[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]acetyl]amino]propionic acid ethyl ester Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)CCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC=C2OC

InChI

InChI=1S/C19H27N3O5/c1-3-27-18(24)8-9-20-17(23)12-15-19(25)21-10-11-22(15)13-14-6-4-5-7-16(14)26-2/h4-7,15H,3,8-13H2,1-2H3,(H,20,23)(H,21,25)/p+1/t15-/m1/s1