4-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]but-2-yn-1-ol bromide

Systemtic Name: 4-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]but-2-yn-1-ol bromide Openeye Name: 4-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]but-2-yn-1-ol bromide CAS Name: 4-[4-(3-phenylprop-2-ynyl)-4-morpholin-4-iumyl]-2-butyn-1-ol bromide IUPAC Name: 4-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]but-2-yn-1-ol bromide Traditional Name: 4-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]but-2-yn-1-ol bromide Formula: C17H20BrNO2 MolecularWeight: 350.2502

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC#CCO)CC#CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C1COCC[N+]1(CC#CCO)CC#CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H20NO2.BrH/c19-14-5-4-10-18(12-15-20-16-13-18)11-6-9-17-7-2-1-3-8-17;/h1-3,7-8,19H,10-16H2;1H/q+1;/p-1