[5-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: [5-(heptadecylcarbamoyloxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [5-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-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 [5-[[(heptadecylamino)-oxomethoxy]methyl]-2-oxolanyl]methyl ester iodide IUPAC Name: [5-(heptadecylcarbamoyloxymethyl)oxolan-2-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 [5-(heptadecylcarbamoyloxymethyl)tetrahydrofuran-2-yl]methyl ester iodide Formula: C35H60IN3O6 MolecularWeight: 745.77187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC(=O)OCC1CCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC(=O)OCC1CCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C35H59N3O6.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-36-34(40)42-28-32-23-24-33(44-32)29-43-35(41)38(30(3)39)27-31-22-19-21-26-37(31)5-2;/h19,21-22,26,32-33H,4-18,20,23-25,27-29H2,1-3H3;1H