[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-(1-ethyl-1-methyl-piperidin-1-ium-3-yl)carbamate iodide

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-(1-ethyl-1-methyl-piperidin-1-ium-3-yl)carbamate iodide Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-(1-ethyl-1-methyl-piperidin-1-ium-3-yl)carbamate iodide CAS Name: N-(1-ethyl-1-methyl-3-piperidin-1-iumyl)carbamic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-(1-ethyl-1-methylpiperidin-1-ium-3-yl)carbamate iodide Traditional Name: N-(1-ethyl-1-methyl-piperidin-1-ium-3-yl)carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C32H64IN3O5 MolecularWeight: 697.77213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NC1CCC[N+](C1)(C)CC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NC1CCC[N+](C1)(C)CC)OC.[I-]

InChI

InChI=1S/C32H63N3O5.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-33-31(36)39-27-30(38-4)28-40-32(37)34-29-23-22-25-35(3,6-2)26-29;/h29-30H,5-28H2,1-4H3,(H-,33,34,36,37);1H