1-phenyl-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide

Systemtic Name: 1-phenyl-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide Openeye Name: 1-phenyl-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide CAS Name: 1-phenyl-2-[4-(3-phenylprop-2-ynyl)-4-morpholin-4-iumyl]ethanone bromide IUPAC Name: 1-phenyl-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide Traditional Name: 1-phenyl-2-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]ethanone bromide Formula: C21H22BrNO2 MolecularWeight: 400.30888

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC#CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1COCC[N+]1(CC#CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H22NO2.BrH/c23-21(20-11-5-2-6-12-20)18-22(14-16-24-17-15-22)13-7-10-19-8-3-1-4-9-19;/h1-6,8-9,11-12H,13-18H2;1H/q+1;/p-1