(2S)-3-methyl-2-(2-piperidin-1-ium-1-ylethanoylamino)butanoate

Systemtic Name: (2S)-3-methyl-2-(2-piperidin-1-ium-1-ylethanoylamino)butanoate Openeye Name: (2S)-3-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]butyrate Formula: C12H22N2O3 MolecularWeight: 242.31468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C[NH+]1CCCCC1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C[NH+]1CCCCC1

InChI

InChI=1S/C12H22N2O3/c1-9(2)11(12(16)17)13-10(15)8-14-6-4-3-5-7-14/h9,11H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t11-/m0/s1