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

Systemtic Name: (2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]pyrrolidine-2-carboxylate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C[NH+]2CCN(CC2)CCO)C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[NH+]2CCN(CC2)CCO)C(=O)[O-]

InChI

InChI=1S/C13H23N3O4/c17-9-8-14-4-6-15(7-5-14)10-12(18)16-3-1-2-11(16)13(19)20/h11,17H,1-10H2,(H,19,20)/t11-/m0/s1