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

Systemtic Name: 4-decylsulfonyl-1-methyl-1-(phenylmethyl)piperazin-1-ium bromide Openeye Name: 1-benzyl-4-decylsulfonyl-1-methyl-piperazin-1-ium bromide CAS Name: 4-decylsulfonyl-1-methyl-1-(phenylmethyl)piperazin-1-ium bromide IUPAC Name: 1-benzyl-4-decylsulfonyl-1-methylpiperazin-1-ium bromide Traditional Name: 1-benzyl-4-decylsulfonyl-1-methyl-piperazin-1-ium bromide Formula: C22H39BrN2O2S MolecularWeight: 475.52626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N2O2S.BrH/c1-3-4-5-6-7-8-9-13-20-27(25,26)23-16-18-24(2,19-17-23)21-22-14-11-10-12-15-22;/h10-12,14-15H,3-9,13,16-21H2,1-2H3;1H/q+1;/p-1