2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetate CAS Name: 2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]acetate Formula: C9H17NO2 MolecularWeight: 171.23678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C9H17NO2/c1-7-4-3-5-8(2)10(7)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1