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

Systemtic Name: 1-methyl-1-(phenylmethyl)-4-tetradecylsulfonyl-piperazin-1-ium bromide Openeye Name: 1-benzyl-1-methyl-4-tetradecylsulfonyl-piperazin-1-ium bromide CAS Name: 1-methyl-1-(phenylmethyl)-4-tetradecylsulfonylpiperazin-1-ium bromide IUPAC Name: 1-benzyl-1-methyl-4-tetradecylsulfonylpiperazin-1-ium bromide Traditional Name: 1-benzyl-1-methyl-4-myristylsulfonyl-piperazin-1-ium bromide Formula: C26H47BrN2O2S MolecularWeight: 531.63258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N2O2S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-17-24-31(29,30)27-20-22-28(2,23-21-27)25-26-18-15-14-16-19-26;/h14-16,18-19H,3-13,17,20-25H2,1-2H3;1H/q+1;/p-1