1-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide

Systemtic Name: 1-(4-methyl-4-prop-2-enyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide Openeye Name: 1-(4-allyl-4-methyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide CAS Name: 1-(4-methyl-4-prop-2-enyl-1-piperazin-4-iumyl)-1-hexadecanone bromide IUPAC Name: 1-(4-methyl-4-prop-2-enylpiperazin-4-ium-1-yl)hexadecan-1-one bromide Traditional Name: 1-(4-allyl-4-methyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide Formula: C24H47BrN2O MolecularWeight: 459.54678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H47N2O.BrH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)25-19-22-26(3,21-5-2)23-20-25;/h5H,2,4,6-23H2,1,3H3;1H/q+1;/p-1