[1-ethanoyl-3-(hexadecylcarbamoyloxymethyl)azetidin-3-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: [1-ethanoyl-3-(hexadecylcarbamoyloxymethyl)azetidin-3-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [1-acetyl-3-(hexadecylcarbamoyloxymethyl)azetidin-3-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-acetyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid [1-acetyl-3-[[(hexadecylamino)-oxomethoxy]methyl]-3-azetidinyl]methyl ester iodide IUPAC Name: [1-acetyl-3-(hexadecylcarbamoyloxymethyl)azetidin-3-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid [1-acetyl-3-(cetylcarbamoyloxymethyl)azetidin-3-yl]methyl ester iodide Formula: C35H59IN4O6 MolecularWeight: 758.77063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)OCC1(CN(C1)C(=O)C)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)OCC1(CN(C1)C(=O)C)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C35H58N4O6.HI/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23-36-33(42)44-28-35(26-38(27-35)30(3)40)29-45-34(43)39(31(4)41)25-32-22-19-21-24-37(32)6-2;/h19,21-22,24H,5-18,20,23,25-29H2,1-4H3;1H