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

Systemtic Name: 4-decylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methyl-piperazin-1-ium bromide Openeye Name: 4-decylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methyl-piperazin-1-ium bromide CAS Name: 4-decylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methylpiperazin-1-ium bromide IUPAC Name: 4-decylsulfonyl-1-[(4-fluorophenyl)methyl]-1-methylpiperazin-1-ium bromide Traditional Name: 4-decylsulfonyl-1-(4-fluorobenzyl)-1-methyl-piperazin-1-ium bromide Formula: C22H38BrFN2O2S MolecularWeight: 493.516723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38FN2O2S.BrH/c1-3-4-5-6-7-8-9-10-19-28(26,27)24-15-17-25(2,18-16-24)20-21-11-13-22(23)14-12-21;/h11-14H,3-10,15-20H2,1-2H3;1H/q+1;/p-1