[2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-pyridin-1-ium-1-ylbutanoate iodide

Systemtic Name: [2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-pyridin-1-ium-1-ylbutanoate iodide Openeye Name: [2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-pyridin-1-ium-1-ylbutanoate iodide CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid [2-methoxycarbonyloxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-pyridin-1-ium-1-ylbutanoate iodide Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid [2-carbomethoxyoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C33H57IN2O7 MolecularWeight: 720.71935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H56N2O7.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-34-32(37)41-29-30(42-33(38)39-2)28-40-31(36)23-22-27-35-25-20-18-21-26-35;/h18,20-21,25-26,30H,3-17,19,22-24,27-29H2,1-2H3;1H