1-methyl-4-octylsulfonyl-1-(phenylmethyl)piperazin-1-ium bromide

Systemtic Name: 1-methyl-4-octylsulfonyl-1-(phenylmethyl)piperazin-1-ium bromide Openeye Name: 1-benzyl-1-methyl-4-octylsulfonyl-piperazin-1-ium bromide CAS Name: 1-methyl-4-octylsulfonyl-1-(phenylmethyl)piperazin-1-ium bromide IUPAC Name: 1-benzyl-1-methyl-4-octylsulfonylpiperazin-1-ium bromide Traditional Name: 1-benzyl-1-methyl-4-octylsulfonyl-piperazin-1-ium bromide Formula: C20H35BrN2O2S MolecularWeight: 447.4731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N2O2S.BrH/c1-3-4-5-6-7-11-18-25(23,24)21-14-16-22(2,17-15-21)19-20-12-9-8-10-13-20;/h8-10,12-13H,3-7,11,14-19H2,1-2H3;1H/q+1;/p-1