(2S)-1-[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-(4-ethyl-1-piperazin-1-iumyl)-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)-3-methylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-(4-ethylpiperazin-1-ium-1-yl)-3-methyl-butanoyl]pyrrolidine-2-carboxylate Formula: C16H29N3O3 MolecularWeight: 311.41976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3O3/c1-4-17-8-10-18(11-9-17)14(12(2)3)15(20)19-7-5-6-13(19)16(21)22/h12-14H,4-11H2,1-3H3,(H,21,22)/t13-,14+/m0/s1