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

Systemtic Name: 1-phenyl-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-phenyl-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide CAS Name: 1-phenyl-2-[1-(3-phenylprop-2-ynyl)-1-piperidin-1-iumyl]ethanone bromide IUPAC Name: 1-phenyl-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-phenyl-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide Formula: C22H24BrNO MolecularWeight: 398.33606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CC[N+](CC1)(CC#CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C22H24NO.BrH/c24-22(21-14-6-2-7-15-21)19-23(16-8-3-9-17-23)18-10-13-20-11-4-1-5-12-20;/h1-2,4-7,11-12,14-15H,3,8-9,16-19H2;1H/q+1;/p-1