6-morpholin-4-ium-4-ylhex-4-yn-3-yl ethanoate chloride

Systemtic Name: 6-morpholin-4-ium-4-ylhex-4-yn-3-yl ethanoate chloride Openeye Name: (1-ethyl-4-morpholin-4-ium-4-yl-but-2-ynyl) acetate chloride CAS Name: acetic acid 6-(4-morpholin-4-iumyl)hex-4-yn-3-yl ester chloride IUPAC Name: 6-morpholin-4-ium-4-ylhex-4-yn-3-yl acetate chloride Traditional Name: acetic acid (1-ethyl-4-morpholin-4-ium-4-yl-but-2-ynyl) ester chloride Formula: C12H20ClNO3 MolecularWeight: 261.7451

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC[NH+]1CCOCC1)OC(=O)C.[Cl-]

Isomeric SMILES

CCC(C#CC[NH+]1CCOCC1)OC(=O)C.[Cl-]

InChI

InChI=1S/C12H19NO3.ClH/c1-3-12(16-11(2)14)5-4-6-13-7-9-15-10-8-13;/h12H,3,6-10H2,1-2H3;1H