[2-methoxy-3-(octadecylcarbamoyloxy)propyl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide CAS Name: 4,4-dimethyl-1-piperazin-4-iumcarboxylic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide Traditional Name: 4,4-dimethylpiperazin-4-ium-1-carboxylic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C30H60IN3O5 MolecularWeight: 669.71897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N1CC[N+](CC1)(C)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N1CC[N+](CC1)(C)C)OC.[I-]

InChI

InChI=1S/C30H59N3O5.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-29(34)37-26-28(36-4)27-38-30(35)32-22-24-33(2,3)25-23-32;/h28H,5-27H2,1-4H3;1H