1-(4-ethyl-4-pent-4-enyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide

Systemtic Name: 1-(4-ethyl-4-pent-4-enyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide Openeye Name: 1-(4-ethyl-4-pent-4-enyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide CAS Name: 1-(4-ethyl-4-pent-4-enyl-1-piperazin-4-iumyl)-1-hexadecanone bromide IUPAC Name: 1-(4-ethyl-4-pent-4-enylpiperazin-4-ium-1-yl)hexadecan-1-one bromide Traditional Name: 1-(4-ethyl-4-pent-4-enyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide Formula: C27H53BrN2O MolecularWeight: 501.62652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CCCC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(CC)CCCC=C.[Br-]

InChI

InChI=1S/C27H53N2O.BrH/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-27(30)28-22-25-29(6-3,26-23-28)24-20-8-5-2;/h5H,2,4,6-26H2,1,3H3;1H/q+1;/p-1