[2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate iodide

Systemtic Name: [2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate iodide Openeye Name: [2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate iodide CAS Name: N-octadecylcarbamic acid [2-(methoxymethyl)-3-[3-(1-quinolin-1-iumyl)propylsulfonylamino]propyl] ester iodide IUPAC Name: [2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate iodide Traditional Name: N-stearylcarbamic acid [2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] ester iodide Formula: C36H62IN3O5S MolecularWeight: 775.86405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[N+]1=CC=CC2=CC=CC=C21)COC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[N+]1=CC=CC2=CC=CC=C21)COC.[I-]

InChI

InChI=1S/C36H61N3O5S.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-37-36(40)44-32-33(31-43-2)30-38-45(41,42)29-22-28-39-27-21-24-34-23-18-19-25-35(34)39;/h18-19,21,23-25,27,33,38H,3-17,20,22,26,28-32H2,1-2H3;1H