[(2R,3S,4S)-1-(2-methoxyethyl)-2,3-dimethyl-piperidin-1-ium-4-yl] ethanoate

Systemtic Name: [(2R,3S,4S)-1-(2-methoxyethyl)-2,3-dimethyl-piperidin-1-ium-4-yl] ethanoate Openeye Name: [(2R,3S,4S)-1-(2-methoxyethyl)-2,3-dimethyl-piperidin-1-ium-4-yl] acetate CAS Name: acetic acid [(2R,3S,4S)-1-(2-methoxyethyl)-2,3-dimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(2R,3S,4S)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-1-ium-4-yl] acetate Traditional Name: acetic acid [(2R,3S,4S)-1-(2-methoxyethyl)-2,3-dimethyl-piperidin-1-ium-4-yl] ester Formula: C12H24NO3+ MolecularWeight: 230.32386

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1OC(=O)C)CCOC)C

Isomeric SMILES

C[C@H]1[C@H]([NH+](CC[C@@H]1OC(=O)C)CCOC)C

InChI

InChI=1S/C12H23NO3/c1-9-10(2)13(7-8-15-4)6-5-12(9)16-11(3)14/h9-10,12H,5-8H2,1-4H3/p+1/t9-,10+,12-/m0/s1