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

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

Systemtic Name:1-methyl-1-(phenylmethyl)-4-undecylsulfonyl-piperazin-1-ium bromide
Openeye Name:1-benzyl-1-methyl-4-undecylsulfonyl-piperazin-1-ium bromide
CAS Name:1-methyl-1-(phenylmethyl)-4-undecylsulfonylpiperazin-1-ium bromide
IUPAC Name:1-benzyl-1-methyl-4-undecylsulfonylpiperazin-1-ium bromide
Traditional Name:1-benzyl-1-methyl-4-undecylsulfonyl-piperazin-1-ium bromide
Formula: C23H41BrN2O2S
MolecularWeight: 489.55284
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H41N2O2S.BrH/c1-3-4-5-6-7-8-9-10-14-21-28(26,27)24-17-19-25(2,20-18-24)22-23-15-12-11-13-16-23;/h11-13,15-16H,3-10,14,17-22H2,1-2H3;1H/q+1;/p-1


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