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

Systemtic Name: (2S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-(4-ethyl-1-piperazin-1-iumyl)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(4-ethylpiperazin-1-ium-1-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylate Formula: C15H27N3O3 MolecularWeight: 297.39318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C)(C)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)C(C)(C)C(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C15H27N3O3/c1-4-16-8-10-17(11-9-16)15(2,3)14(21)18-7-5-6-12(18)13(19)20/h12H,4-11H2,1-3H3,(H,19,20)/t12-/m0/s1