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

Systemtic Name: 1-[4-ethyl-4-(phenylmethyl)piperazin-4-ium-1-yl]docosan-1-one bromide Openeye Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)docosan-1-one bromide CAS Name: 1-[4-ethyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-docosanone bromide IUPAC Name: 1-(4-benzyl-4-ethylpiperazin-4-ium-1-yl)docosan-1-one bromide Traditional Name: 1-(4-benzyl-4-ethyl-piperazin-4-ium-1-yl)docosan-1-one bromide Formula: C35H63BrN2O MolecularWeight: 607.79152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H63N2O.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-35(38)36-29-31-37(4-2,32-30-36)33-34-26-23-22-24-27-34;/h22-24,26-27H,3-21,25,28-33H2,1-2H3;1H/q+1;/p-1