ethyl 4-ethyl-4-octyl-piperazin-4-ium-1-carboxylate iodide

Systemtic Name: ethyl 4-ethyl-4-octyl-piperazin-4-ium-1-carboxylate iodide Openeye Name: ethyl 4-ethyl-4-octyl-piperazin-4-ium-1-carboxylate iodide CAS Name: 4-ethyl-4-octyl-1-piperazin-4-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 4-ethyl-4-octylpiperazin-4-ium-1-carboxylate iodide Traditional Name: 4-ethyl-4-octyl-piperazin-4-ium-1-carboxylic acid ethyl ester iodide Formula: C17H35IN2O2 MolecularWeight: 426.37647

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC.[I-]

Isomeric SMILES

CCCCCCCC[N+]1(CCN(CC1)C(=O)OCC)CC.[I-]

InChI

InChI=1S/C17H35N2O2.HI/c1-4-7-8-9-10-11-14-19(5-2)15-12-18(13-16-19)17(20)21-6-3;/h4-16H2,1-3H3;1H/q+1;/p-1