[(3R)-6-piperidin-1-ium-1-ylhex-4-yn-3-yl] ethanoate

Systemtic Name: [(3R)-6-piperidin-1-ium-1-ylhex-4-yn-3-yl] ethanoate Openeye Name: [(1R)-1-ethyl-4-piperidin-1-ium-1-yl-but-2-ynyl] acetate CAS Name: acetic acid [(3R)-6-(1-piperidin-1-iumyl)hex-4-yn-3-yl] ester IUPAC Name: [(3R)-6-piperidin-1-ium-1-ylhex-4-yn-3-yl] acetate Traditional Name: acetic acid [(1R)-1-ethyl-4-piperidin-1-ium-1-yl-but-2-ynyl] ester Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-3-13(16-12(2)15)8-7-11-14-9-5-4-6-10-14/h13H,3-6,9-11H2,1-2H3/p+1/t13-/m1/s1