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

Systemtic Name: (2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-2,2-dimethyl-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2,2-dimethylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-2,2-dimethyl-propanoyl]pyrrolidine-2-carboxylate Formula: C16H29N3O4 MolecularWeight: 327.41916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)CCO)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)CCO)C(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H29N3O4/c1-16(2,12-18-8-6-17(7-9-18)10-11-20)15(23)19-5-3-4-13(19)14(21)22/h13,20H,3-12H2,1-2H3,(H,21,22)/t13-/m0/s1