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

Systemtic Name: (2S)-1-[3-(4-ethylpiperazin-4-ium-1-yl)-2,2-dimethyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[3-(4-ethylpiperazin-4-ium-1-yl)-2,2-dimethyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-(4-ethyl-1-piperazin-4-iumyl)-2,2-dimethyl-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[3-(4-ethylpiperazin-4-ium-1-yl)-2,2-dimethylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(4-ethylpiperazin-4-ium-1-yl)-2,2-dimethyl-propanoyl]pyrrolidine-2-carboxylate Formula: C16H29N3O3 MolecularWeight: 311.41976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O3/c1-4-17-8-10-18(11-9-17)12-16(2,3)15(22)19-7-5-6-13(19)14(20)21/h13H,4-12H2,1-3H3,(H,20,21)/t13-/m0/s1