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

Systemtic Name: [5-(hexadecoxymethyl)oxolan-2-yl]methyl N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide Openeye Name: [5-(hexadecoxymethyl)tetrahydrofuran-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-(hexadecoxymethyl)-2-oxolanyl]methyl ester iodide IUPAC Name: [5-(hexadecoxymethyl)oxolan-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-(cetyloxymethyl)tetrahydrofuran-2-yl]methyl ester iodide Formula: C33H57IN2O5 MolecularWeight: 688.72055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CCC(O1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[I-]

InChI

InChI=1S/C33H57N2O5.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-25-38-27-31-22-23-32(40-31)28-39-33(37)35(29(3)36)26-30-21-18-19-24-34(30)5-2;/h18-19,21,24,31-32H,4-17,20,22-23,25-28H2,1-3H3;1H/q+1;/p-1