1-[4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octan-1-one bromide

Systemtic Name: 1-[4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octan-1-one bromide Openeye Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)octan-1-one bromide CAS Name: 1-[4-ethyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-octanone bromide IUPAC Name: 1-(4-benzyl-4-ethylpiperazin-4-ium-1-yl)octan-1-one bromide Traditional Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)octan-1-one bromide Formula: C21H35BrN2O MolecularWeight: 411.4194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CC[N+](CC1)(CC)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCC(=O)N1CC[N+](CC1)(CC)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C21H35N2O.BrH/c1-3-5-6-7-11-14-21(24)22-15-17-23(4-2,18-16-22)19-20-12-9-8-10-13-20;/h8-10,12-13H,3-7,11,14-19H2,1-2H3;1H/q+1;/p-1