ethyl 5-[[2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[[2-[(2R)-1-cyclopentyl-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[2-[(2R)-1-cyclopentyl-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[2-[(2R)-1-cyclopentyl-3-oxopiperazin-1-ium-2-yl]acetyl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[[2-[(2R)-1-cyclopentyl-3-keto-piperazin-1-ium-2-yl]acetyl]amino]methyl]furan-2-carboxylic acid ethyl ester Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CNC(=O)CC2C(=O)NCC[NH+]2C3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2C3CCCC3

InChI

InChI=1S/C19H27N3O5/c1-2-26-19(25)16-8-7-14(27-16)12-21-17(23)11-15-18(24)20-9-10-22(15)13-5-3-4-6-13/h7-8,13,15H,2-6,9-12H2,1H3,(H,20,24)(H,21,23)/p+1/t15-/m1/s1