(2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanoyl]pyrrolidine-2-carboxylate Formula: C14H25N3O4 MolecularWeight: 299.366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O4/c18-11-10-16-8-6-15(7-9-16)5-3-13(19)17-4-1-2-12(17)14(20)21/h12,18H,1-11H2,(H,20,21)/t12-/m0/s1