1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]docosan-1-one bromide

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]docosan-1-one bromide Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one bromide CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-docosanone bromide IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)docosan-1-one bromide Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one bromide Formula: C34H61BrN2O MolecularWeight: 593.76494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H61N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-34(37)35-28-30-36(2,31-29-35)32-33-25-22-21-23-26-33;/h21-23,25-26H,3-20,24,27-32H2,1-2H3;1H/q+1;/p-1