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1-(4-methylphenyl)sulfonyl-3-pentadecyl-piperazin-4-ium chloride

1-(4-methylphenyl)sulfonyl-3-pentadecyl-piperazin-4-ium chloride

Systemtic Name:1-(4-methylphenyl)sulfonyl-3-pentadecyl-piperazin-4-ium chloride
Openeye Name:3-pentadecyl-1-(p-tolylsulfonyl)piperazin-4-ium chloride
CAS Name:1-(4-methylphenyl)sulfonyl-3-pentadecylpiperazin-4-ium chloride
IUPAC Name:1-(4-methylphenyl)sulfonyl-3-pentadecylpiperazin-4-ium chloride
Traditional Name:3-pentadecyl-1-tosyl-piperazin-4-ium chloride
Formula: C26H47ClN2O2S
MolecularWeight: 487.18158
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)C.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCC1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)C.[Cl-]


InChI

InChI=1S/C26H46N2O2S.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-23-28(22-21-27-25)31(29,30)26-19-17-24(2)18-20-26;/h17-20,25,27H,3-16,21-23H2,1-2H3;1H


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