(2S)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-3-methyl-butanoate Openeye Name: (2S)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-3-methyl-butanoate CAS Name: (2S)-2-[(2R)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]-3-methylbutanoate IUPAC Name: (2S)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-3-methylbutanoate Traditional Name: (2S)-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]-3-methyl-butyrate Formula: C12H23NO3 MolecularWeight: 229.31592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCCCC1CCO

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+]1CCCC[C@@H]1CCO

InChI

InChI=1S/C12H23NO3/c1-9(2)11(12(15)16)13-7-4-3-5-10(13)6-8-14/h9-11,14H,3-8H2,1-2H3,(H,15,16)/t10-,11+/m1/s1