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

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[(3-methyl-1,3-thiazol-3-ium-2-yl)methyl]carbamate iodide Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[(3-methylthiazol-3-ium-2-yl)methyl]carbamate iodide CAS Name: N-[(3-methyl-2-thiazol-3-iumyl)methyl]carbamic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-[(3-methyl-1,3-thiazol-3-ium-2-yl)methyl]carbamate iodide Traditional Name: N-[(3-methylthiazol-3-ium-2-yl)methyl]carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C29H54IN3O5S MolecularWeight: 683.72563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC1=[N+](C=CS1)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC1=[N+](C=CS1)C)OC.[I-]

InChI

InChI=1S/C29H53N3O5S.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-28(33)36-24-26(35-3)25-37-29(34)31-23-27-32(2)21-22-38-27;/h21-22,26H,4-20,23-25H2,1-3H3,(H-,30,31,33,34);1H