1,1-diethyl-4-octylsulfonyl-piperazin-1-ium iodide

Systemtic Name: 1,1-diethyl-4-octylsulfonyl-piperazin-1-ium iodide Openeye Name: 1,1-diethyl-4-octylsulfonyl-piperazin-1-ium iodide CAS Name: 1,1-diethyl-4-octylsulfonylpiperazin-1-ium iodide IUPAC Name: 1,1-diethyl-4-octylsulfonylpiperazin-1-ium iodide Traditional Name: 1,1-diethyl-4-octylsulfonyl-piperazin-1-ium iodide Formula: C16H35IN2O2S MolecularWeight: 446.43077

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CC[N+](CC1)(CC)CC.[I-]

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CC[N+](CC1)(CC)CC.[I-]

InChI

InChI=1S/C16H35N2O2S.HI/c1-4-7-8-9-10-11-16-21(19,20)17-12-14-18(5-2,6-3)15-13-17;/h4-16H2,1-3H3;1H/q+1;/p-1