6-piperidin-1-ium-1-ylhex-4-yn-3-yl ethanoate chloride

Systemtic Name: 6-piperidin-1-ium-1-ylhex-4-yn-3-yl ethanoate chloride Openeye Name: (1-ethyl-4-piperidin-1-ium-1-yl-but-2-ynyl) acetate chloride CAS Name: acetic acid 6-(1-piperidin-1-iumyl)hex-4-yn-3-yl ester chloride IUPAC Name: 6-piperidin-1-ium-1-ylhex-4-yn-3-yl acetate chloride Traditional Name: acetic acid (1-ethyl-4-piperidin-1-ium-1-yl-but-2-ynyl) ester chloride Formula: C13H22ClNO2 MolecularWeight: 259.77228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2.ClH/c1-3-13(16-12(2)15)8-7-11-14-9-5-4-6-10-14;/h13H,3-6,9-11H2,1-2H3;1H