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

Systemtic Name: [2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate Openeye Name: [2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [2-(methoxymethyl)-3-[3-(1-quinolin-1-iumyl)propylsulfonylamino]propyl] ester IUPAC Name: [2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [2-(methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] ester Formula: C36H62N3O5S+ MolecularWeight: 648.95958

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

Isomeric SMILES

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

InChI

InChI=1S/C36H61N3O5S/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/p+1