1-[4-ethyl-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]octadecan-1-one bromide

Systemtic Name: 1-[4-ethyl-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]octadecan-1-one bromide Openeye Name: 1-[4-ethyl-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]octadecan-1-one bromide CAS Name: 1-[4-ethyl-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-1-octadecanone bromide IUPAC Name: 1-[4-ethyl-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]octadecan-1-one bromide Traditional Name: 1-[4-ethyl-4-(4-fluorobenzyl)piperazin-4-ium-1-yl]octadecan-1-one bromide Formula: C31H54BrFN2O MolecularWeight: 569.675663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54FN2O.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(35)33-24-26-34(4-2,27-25-33)28-29-20-22-30(32)23-21-29;/h20-23H,3-19,24-28H2,1-2H3;1H/q+1;/p-1