(2S)-3-methyl-2-[2-(2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-ium-1-yl)ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(2,2,6,6-tetramethyl-4-oxidanylidene-piperidin-1-ium-1-yl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(2,2,6,6-tetramethyl-4-oxo-piperidin-1-ium-1-yl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(2,2,6,6-tetramethyl-4-oxo-1-piperidin-1-iumyl)ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-ium-1-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-keto-2,2,6,6-tetramethyl-piperidin-1-ium-1-yl)acetyl]amino]-3-methyl-butyrate Formula: C16H28N2O4 MolecularWeight: 312.40452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C[NH+]1C(CC(=O)CC1(C)C)(C)C

InChI

InChI=1S/C16H28N2O4/c1-10(2)13(14(21)22)17-12(20)9-18-15(3,4)7-11(19)8-16(18,5)6/h10,13H,7-9H2,1-6H3,(H,17,20)(H,21,22)/t13-/m0/s1