(4-morpholin-4-ium-4-yl-1-phenyl-but-2-ynyl) ethanoate chloride

Systemtic Name: (4-morpholin-4-ium-4-yl-1-phenyl-but-2-ynyl) ethanoate chloride Openeye Name: (4-morpholin-4-ium-4-yl-1-phenyl-but-2-ynyl) acetate chloride CAS Name: acetic acid [4-(4-morpholin-4-iumyl)-1-phenylbut-2-ynyl] ester chloride IUPAC Name: (4-morpholin-4-ium-4-yl-1-phenylbut-2-ynyl) acetate chloride Traditional Name: acetic acid (4-morpholin-4-ium-4-yl-1-phenyl-but-2-ynyl) ester chloride Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CC[NH+]1CCOCC1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(=O)OC(C#CC[NH+]1CCOCC1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H19NO3.ClH/c1-14(18)20-16(15-6-3-2-4-7-15)8-5-9-17-10-12-19-13-11-17;/h2-4,6-7,16H,9-13H2,1H3;1H