4-dodecylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methyl-piperazin-1-ium bromide

Systemtic Name: 4-dodecylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methyl-piperazin-1-ium bromide Openeye Name: 4-dodecylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methyl-piperazin-1-ium bromide CAS Name: 4-dodecylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methylpiperazin-1-ium bromide IUPAC Name: 4-dodecylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methylpiperazin-1-ium bromide Traditional Name: 1-(4-fluorobenzyl)-4-laurylsulfonyl-1-methyl-piperazin-1-ium bromide Formula: C24H42BrFN2O2S MolecularWeight: 521.569883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42FN2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-21-30(28,29)26-17-19-27(2,20-18-26)22-23-13-15-24(25)16-14-23;/h13-16H,3-12,17-22H2,1-2H3;1H/q+1;/p-1