[(2R)-5-piperidin-1-ium-1-ylpent-3-yn-2-yl] ethanoate

Systemtic Name: [(2R)-5-piperidin-1-ium-1-ylpent-3-yn-2-yl] ethanoate Openeye Name: [(1R)-1-methyl-4-piperidin-1-ium-1-yl-but-2-ynyl] acetate CAS Name: acetic acid [(2R)-5-(1-piperidin-1-iumyl)pent-3-yn-2-yl] ester IUPAC Name: [(2R)-5-piperidin-1-ium-1-ylpent-3-yn-2-yl] acetate Traditional Name: acetic acid [(1R)-1-methyl-4-piperidin-1-ium-1-yl-but-2-ynyl] ester Formula: C12H20NO2+ MolecularWeight: 210.2927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC[NH+]1CCCCC1)OC(=O)C

Isomeric SMILES

C[C@H](C#CC[NH+]1CCCCC1)OC(=O)C

InChI

InChI=1S/C12H19NO2/c1-11(15-12(2)14)7-6-10-13-8-4-3-5-9-13/h11H,3-5,8-10H2,1-2H3/p+1/t11-/m1/s1