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

Systemtic Name: (2S)-1-[3-(4-ethylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[3-(4-ethylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[3-(4-ethylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(4-ethylpiperazin-4-ium-1-yl)propanoyl]pyrrolidine-2-carboxylate Formula: C14H25N3O3 MolecularWeight: 283.3666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O3/c1-2-15-8-10-16(11-9-15)7-5-13(18)17-6-3-4-12(17)14(19)20/h12H,2-11H2,1H3,(H,19,20)/t12-/m0/s1