[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[(3-butyl-1,3-thiazol-3-ium-2-yl)methyl]-N-ethanoyl-carbamate iodide

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[(3-butyl-1,3-thiazol-3-ium-2-yl)methyl]-N-ethanoyl-carbamate iodide Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(3-butylthiazol-3-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(3-butyl-2-thiazol-3-iumyl)methyl]carbamic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(3-butyl-1,3-thiazol-3-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(3-butylthiazol-3-ium-2-yl)methyl]carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C34H62IN3O6S MolecularWeight: 767.84205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=[N+](C=CS1)CCCC)C(=O)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=[N+](C=CS1)CCCC)C(=O)C)OC.[I-]

InChI

InChI=1S/C34H61N3O6S.HI/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-35-33(39)42-28-31(41-4)29-43-34(40)37(30(3)38)27-32-36(24-8-6-2)25-26-44-32;/h25-26,31H,5-24,27-29H2,1-4H3;1H