[(1S)-4-morpholin-4-ium-4-yl-1-phenyl-but-2-ynyl] ethanoate

Systemtic Name: [(1S)-4-morpholin-4-ium-4-yl-1-phenyl-but-2-ynyl] ethanoate Openeye Name: [(1S)-4-morpholin-4-ium-4-yl-1-phenyl-but-2-ynyl] acetate CAS Name: acetic acid [(1S)-4-(4-morpholin-4-iumyl)-1-phenylbut-2-ynyl] ester IUPAC Name: [(1S)-4-morpholin-4-ium-4-yl-1-phenylbut-2-ynyl] acetate Traditional Name: acetic acid [(1S)-4-morpholin-4-ium-4-yl-1-phenyl-but-2-ynyl] ester Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)O[C@H](C#CC[NH+]1CCOCC1)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO3/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/p+1/t16-/m1/s1