1-(4,4-dimethylpiperazin-4-ium-1-yl)icosan-1-one iodide

Systemtic Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)icosan-1-one iodide Openeye Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)icosan-1-one iodide CAS Name: 1-(4,4-dimethyl-1-piperazin-4-iumyl)-1-eicosanone iodide IUPAC Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)icosan-1-one iodide Traditional Name: 1-(4,4-dimethylpiperazin-4-ium-1-yl)eicosan-1-one iodide Formula: C26H53IN2O MolecularWeight: 536.61629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N1CC[N+](CC1)(C)C.[I-]

InChI

InChI=1S/C26H53N2O.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29)27-22-24-28(2,3)25-23-27;/h4-25H2,1-3H3;1H/q+1;/p-1