(5-icosoxyoxolan-3-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide

Systemtic Name: (5-icosoxyoxolan-3-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (5-icosoxytetrahydrofuran-3-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-eicosoxy-3-oxolanyl)methyl ester iodide IUPAC Name: (5-icosoxyoxolan-3-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-arachyloxytetrahydrofuran-3-yl)methyl ester iodide Formula: C36H63IN2O5 MolecularWeight: 730.80029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C36H63N2O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-41-35-28-33(30-42-35)31-43-36(40)38(32(3)39)29-34-25-22-23-26-37(34)5-2;/h22-23,25-26,33,35H,4-21,24,27-31H2,1-3H3;1H/q+1;/p-1