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

Systemtic Name: (2S)-1-[2-(4-ethanoylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-(4-acetylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(4-acetyl-1-piperazin-1-iumyl)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-(4-acetylpiperazin-1-ium-1-yl)-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(4-acetylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate Formula: C15H25N3O4 MolecularWeight: 311.3767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O4/c1-11(19)16-7-9-17(10-8-16)15(2,3)14(22)18-6-4-5-12(18)13(20)21/h12H,4-10H2,1-3H3,(H,20,21)/t12-/m0/s1