(4-octadecyloxolan-2-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (4-octadecyloxolan-2-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (4-octadecyltetrahydrofuran-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 (4-octadecyl-2-oxolanyl)methyl ester iodide IUPAC Name: (4-octadecyloxolan-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 (4-stearyltetrahydrofuran-2-yl)methyl ester iodide Formula: C34H59IN2O4 MolecularWeight: 686.74773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CC(OC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CC(OC1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C34H59N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-26-33(39-28-31)29-40-34(38)36(30(3)37)27-32-24-21-22-25-35(32)5-2;/h21-22,24-25,31,33H,4-20,23,26-29H2,1-3H3;1H/q+1;/p-1