[2-ethoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: [2-ethoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [2-ethoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]carbamic acid [2-ethoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester iodide IUPAC Name: [2-ethoxy-3-(octadecylcarbamoyloxy)propyl] N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamic acid [2-ethoxy-3-(stearylcarbamoyloxy)propyl] ester iodide Formula: C33H60IN3O5 MolecularWeight: 705.75107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC1=CC=CC=[N+]1CC)OCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)NCC1=CC=CC=[N+]1CC)OCC.[I-]

InChI

InChI=1S/C33H59N3O5.HI/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-34-32(37)40-28-31(39-6-3)29-41-33(38)35-27-30-24-21-23-26-36(30)5-2;/h21,23-24,26,31H,4-20,22,25,27-29H2,1-3H3,(H-,34,35,37,38);1H