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

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-ethanoyl-N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-1-methyl-2-pyrrolidin-1-iumyl)methyl]carbamic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C34H66IN3O6 MolecularWeight: 739.80881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1CCC[N+]1(C)CC)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1CCC[N+]1(C)CC)C(=O)C)OC.[I-]

InChI

InChI=1S/C34H65N3O6.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-35-33(39)42-28-32(41-5)29-43-34(40)36(30(3)38)27-31-24-23-26-37(31,4)7-2;/h31-32H,6-29H2,1-5H3;1H