2-[3-(pentadecylcarbamoyloxymethoxy)propoxy]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: 2-[3-(pentadecylcarbamoyloxymethoxy)propoxy]ethyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: 2-[3-(pentadecylcarbamoyloxymethoxy)propoxy]ethyl 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 2-[3-[[oxo-(pentadecylamino)methoxy]methoxy]propoxy]ethyl ester iodide IUPAC Name: 2-[3-(pentadecylcarbamoyloxymethoxy)propoxy]ethyl 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 2-[3-(pentadecylcarbamoyloxymethoxy)propoxy]ethyl ester iodide Formula: C33H58IN3O7 MolecularWeight: 735.73399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNC(=O)OCOCCCOCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCNC(=O)OCOCCCOCCOC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C.[I-]

InChI

InChI=1S/C33H57N3O7.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22-34-32(38)43-29-41-25-20-24-40-26-27-42-33(39)36(30(3)37)28-31-21-17-19-23-35(31)5-2;/h17,19,21,23H,4-16,18,20,22,24-29H2,1-3H3;1H