methyl 4-[2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetyl]amino]butyric acid methyl ester Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC=N2

Isomeric SMILES

COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC=N2

InChI

InChI=1S/C17H24N4O4/c1-25-16(23)6-4-8-19-15(22)11-14-17(24)20-9-10-21(14)12-13-5-2-3-7-18-13/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,19,22)(H,20,24)/p+1/t14-/m1/s1