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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCC1C(=O)[O-])[NH+]2CCN(CC2)CCO

Isomeric SMILES

CC(C)(C(=O)N1CCC[C@H]1C(=O)[O-])[NH+]2CCN(CC2)CCO

InChI

InChI=1S/C15H27N3O4/c1-15(2,17-8-6-16(7-9-17)10-11-19)14(22)18-5-3-4-12(18)13(20)21/h12,19H,3-11H2,1-2H3,(H,20,21)/t12-/m0/s1