[(3R,5R)-4-ethynyl-1,3,5-trimethyl-piperidin-1-ium-4-yl] ethanoate

Systemtic Name: [(3R,5R)-4-ethynyl-1,3,5-trimethyl-piperidin-1-ium-4-yl] ethanoate Openeye Name: [(3R,5R)-4-ethynyl-1,3,5-trimethyl-piperidin-1-ium-4-yl] acetate CAS Name: acetic acid [(3R,5R)-4-ethynyl-1,3,5-trimethyl-4-piperidin-1-iumyl] ester IUPAC Name: [(3R,5R)-4-ethynyl-1,3,5-trimethylpiperidin-1-ium-4-yl] acetate Traditional Name: acetic acid [(3R,5R)-4-ethynyl-1,3,5-trimethyl-piperidin-1-ium-4-yl] ester Formula: C12H20NO2+ MolecularWeight: 210.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(C1(C#C)OC(=O)C)C)C

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](C1(C#C)OC(=O)C)C)C

InChI

InChI=1S/C12H19NO2/c1-6-12(15-11(4)14)9(2)7-13(5)8-10(12)3/h1,9-10H,7-8H2,2-5H3/p+1/t9-,10-/m1/s1