1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one iodide

Systemtic Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one iodide Openeye Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one iodide CAS Name: 1-(4-ethyl-4-methyl-1-piperazin-4-iumyl)-1-docosanone iodide IUPAC Name: 1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)docosan-1-one iodide Traditional Name: 1-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)docosan-1-one iodide Formula: C29H59IN2O MolecularWeight: 578.69603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H59N2O.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(32)30-25-27-31(3,5-2)28-26-30;/h4-28H2,1-3H3;1H/q+1;/p-1