(2S)-1-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]pyrrolidine-2-carboxylate Formula: C13H21N3O4 MolecularWeight: 283.32354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C13H21N3O4/c1-10(17)15-7-5-14(6-8-15)9-12(18)16-4-2-3-11(16)13(19)20/h11H,2-9H2,1H3,(H,19,20)/t11-/m0/s1