[2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-(1,3-thiazol-3-ium-3-yl)butanoate iodide

Systemtic Name: [2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-(1,3-thiazol-3-ium-3-yl)butanoate iodide Openeye Name: [2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-thiazol-3-ium-3-ylbutanoate iodide CAS Name: 4-(3-thiazol-3-iumyl)butanoic acid [2-methoxycarbonyloxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-(1,3-thiazol-3-ium-3-yl)butanoate iodide Traditional Name: 4-thiazol-3-ium-3-ylbutyric acid [2-carbomethoxyoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C31H55IN2O7S MolecularWeight: 726.74707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)CCC[N+]1=CSC=C1)OC(=O)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)CCC[N+]1=CSC=C1)OC(=O)OC.[I-]

InChI

InChI=1S/C31H54N2O7S.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-30(35)39-26-28(40-31(36)37-2)25-38-29(34)20-19-22-33-23-24-41-27-33;/h23-24,27-28H,3-22,25-26H2,1-2H3;1H