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

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-(1-methylpyridin-1-ium-3-yl)carbamate iodide Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-(1-methylpyridin-1-ium-3-yl)carbamate iodide CAS Name: N-(1-methyl-3-pyridin-1-iumyl)carbamic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-(1-methylpyridin-1-ium-3-yl)carbamate iodide Traditional Name: N-(1-methylpyridin-1-ium-3-yl)carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C30H54IN3O5 MolecularWeight: 663.67133

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NC1=C[N+](=CC=C1)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NC1=C[N+](=CC=C1)C)OC.[I-]

InChI

InChI=1S/C30H53N3O5.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-29(34)37-25-28(36-3)26-38-30(35)32-27-21-20-23-33(2)24-27;/h20-21,23-24,28H,4-19,22,25-26H2,1-3H3,(H-,31,32,34,35);1H