(2R)-2-[(3S)-1-methylpiperidin-1-ium-3-yl]oxybutanoate

Systemtic Name: (2R)-2-[(3S)-1-methylpiperidin-1-ium-3-yl]oxybutanoate Openeye Name: (2R)-2-[(3S)-1-methylpiperidin-1-ium-3-yl]oxybutanoate CAS Name: (2R)-2-[[(3S)-1-methyl-3-piperidin-1-iumyl]oxy]butanoate IUPAC Name: (2R)-2-[(3S)-1-methylpiperidin-1-ium-3-yl]oxybutanoate Traditional Name: (2R)-2-[(3S)-1-methylpiperidin-1-ium-3-yl]oxybutyrate Formula: C10H19NO3 MolecularWeight: 201.26276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])OC1CCC[NH+](C1)C

Isomeric SMILES

CC[C@H](C(=O)[O-])O[C@H]1CCC[NH+](C1)C

InChI

InChI=1S/C10H19NO3/c1-3-9(10(12)13)14-8-5-4-6-11(2)7-8/h8-9H,3-7H2,1-2H3,(H,12,13)/t8-,9+/m0/s1