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

Systemtic Name: (5-heptadecyloxolan-2-yl)methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: (5-heptadecyltetrahydrofuran-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-heptadecyl-2-oxolanyl)methyl ester iodide IUPAC Name: (5-heptadecyloxolan-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-heptadecyltetrahydrofuran-2-yl)methyl ester iodide Formula: C33H57IN2O4 MolecularWeight: 672.72115

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1CCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1CCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C33H57N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-24-25-32(39-31)28-38-33(37)35(29(3)36)27-30-22-20-21-26-34(30)5-2;/h20-22,26,31-32H,4-19,23-25,27-28H2,1-3H3;1H/q+1;/p-1