[(4R)-1-piperidin-1-ium-1-ylhept-2-yn-4-yl] ethanoate

Systemtic Name: [(4R)-1-piperidin-1-ium-1-ylhept-2-yn-4-yl] ethanoate Openeye Name: [(1R)-4-piperidin-1-ium-1-yl-1-propyl-but-2-ynyl] acetate CAS Name: acetic acid [(4R)-1-(1-piperidin-1-iumyl)hept-2-yn-4-yl] ester IUPAC Name: [(4R)-1-piperidin-1-ium-1-ylhept-2-yn-4-yl] acetate Traditional Name: acetic acid [(1R)-4-piperidin-1-ium-1-yl-1-propyl-but-2-ynyl] ester Formula: C14H24NO2+ MolecularWeight: 238.34586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO2/c1-3-8-14(17-13(2)16)9-7-12-15-10-5-4-6-11-15/h14H,3-6,8,10-12H2,1-2H3/p+1/t14-/m1/s1