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

Systemtic Name: 1-[4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-yl]hexadecan-1-one bromide Openeye Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide CAS Name: 1-[4-ethyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-hexadecanone bromide IUPAC Name: 1-(4-benzyl-4-ethylpiperazin-4-ium-1-yl)hexadecan-1-one bromide Traditional Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)hexadecan-1-one bromide Formula: C29H51BrN2O MolecularWeight: 523.63204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H51N2O.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-29(32)30-23-25-31(4-2,26-24-30)27-28-20-17-16-18-21-28;/h16-18,20-21H,3-15,19,22-27H2,1-2H3;1H/q+1;/p-1