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

Systemtic Name: (2S)-1-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxobutyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]butanoyl]pyrrolidine-2-carboxylate Formula: C15H27N3O4 MolecularWeight: 313.39258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O4/c19-12-11-17-9-7-16(8-10-17)5-2-4-14(20)18-6-1-3-13(18)15(21)22/h13,19H,1-12H2,(H,21,22)/t13-/m0/s1