2-octyl-1-(3,4,5-trimethoxyphenyl)sulfonyl-piperazin-4-ium chloride

Systemtic Name: 2-octyl-1-(3,4,5-trimethoxyphenyl)sulfonyl-piperazin-4-ium chloride Openeye Name: 2-octyl-1-(3,4,5-trimethoxyphenyl)sulfonyl-piperazin-4-ium chloride CAS Name: 2-octyl-1-(3,4,5-trimethoxyphenyl)sulfonylpiperazin-4-ium chloride IUPAC Name: 2-octyl-1-(3,4,5-trimethoxyphenyl)sulfonylpiperazin-4-ium chloride Traditional Name: 2-octyl-1-(3,4,5-trimethoxyphenyl)sulfonyl-piperazin-4-ium chloride Formula: C21H37ClN2O5S MolecularWeight: 465.04688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

Isomeric SMILES

CCCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-]

InChI

InChI=1S/C21H36N2O5S.ClH/c1-5-6-7-8-9-10-11-17-16-22-12-13-23(17)29(24,25)18-14-19(26-2)21(28-4)20(15-18)27-3;/h14-15,17,22H,5-13,16H2,1-4H3;1H