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

Systemtic Name: 1-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octan-1-one bromide Openeye Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)octan-1-one bromide CAS Name: 1-[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-octanone bromide IUPAC Name: 1-(4-benzyl-4-methylpiperazin-4-ium-1-yl)octan-1-one bromide Traditional Name: 1-(4-benzyl-4-methyl-piperazin-4-ium-1-yl)octan-1-one bromide Formula: C20H33BrN2O MolecularWeight: 397.39282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N2O.BrH/c1-3-4-5-6-10-13-20(23)21-14-16-22(2,17-15-21)18-19-11-8-7-9-12-19;/h7-9,11-12H,3-6,10,13-18H2,1-2H3;1H/q+1;/p-1