ethyl 4-[2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H29N4O4+ MolecularWeight: 341.42586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2C(C)C

InChI

InChI=1S/C16H28N4O4/c1-4-24-16(23)19-9-7-18(8-10-19)14(21)11-13-15(22)17-5-6-20(13)12(2)3/h12-13H,4-11H2,1-3H3,(H,17,22)/p+1/t13-/m1/s1