1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)-1-piperidin-1-iumyl]ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-yl]ethanone bromide Formula: C22H23BrClNO MolecularWeight: 432.78112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClNO.BrH/c23-21-13-11-20(12-14-21)22(25)18-24(15-5-2-6-16-24)17-7-10-19-8-3-1-4-9-19;/h1,3-4,8-9,11-14H,2,5-6,15-18H2;1H/q+1;/p-1