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

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]icosan-1-one bromide Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)icosan-1-one bromide CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-eicosanone bromide IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)icosan-1-one bromide Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)eicosan-1-one bromide Formula: C32H57BrN2O MolecularWeight: 565.71178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H57N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(35)33-26-28-34(2,29-27-33)30-31-23-20-19-21-24-31;/h19-21,23-24H,3-18,22,25-30H2,1-2H3;1H/q+1;/p-1