[1-(octadecylcarbamoyloxymethyl)cyclobutyl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: [1-(octadecylcarbamoyloxymethyl)cyclobutyl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [1-(octadecylcarbamoyloxymethyl)cyclobutyl]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-[[(octadecylamino)-oxomethoxy]methyl]cyclobutyl]methyl ester iodide IUPAC Name: [1-(octadecylcarbamoyloxymethyl)cyclobutyl]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-(stearylcarbamoyloxymethyl)cyclobutyl]methyl ester iodide Formula: C36H62IN3O5 MolecularWeight: 743.79905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C36H61N3O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-37-34(41)43-30-36(25-23-26-36)31-44-35(42)39(32(3)40)29-33-24-20-22-28-38(33)5-2;/h20,22,24,28H,4-19,21,23,25-27,29-31H2,1-3H3;1H