methanesulfonate; [2-methoxy-2-methyl-3-[7-(1,3-thiazol-3-ium-3-yl)heptoxy]propyl] N-methyl-N-octadecyl-carbamate

Systemtic Name: methanesulfonate; [2-methoxy-2-methyl-3-[7-(1,3-thiazol-3-ium-3-yl)heptoxy]propyl] N-methyl-N-octadecyl-carbamate Openeye Name: methanesulfonate; [2-methoxy-2-methyl-3-(7-thiazol-3-ium-3-ylheptoxy)propyl] N-methyl-N-octadecyl-carbamate CAS Name: methanesulfonate; N-methyl-N-octadecylcarbamic acid [2-methoxy-2-methyl-3-[7-(3-thiazol-3-iumyl)heptoxy]propyl] ester IUPAC Name: methanesulfonate; [2-methoxy-2-methyl-3-[7-(1,3-thiazol-3-ium-3-yl)heptoxy]propyl] N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid [2-methoxy-2-methyl-3-(7-thiazol-3-ium-3-ylheptoxy)propyl] ester mesylate Formula: C36H70N2O7S2 MolecularWeight: 707.0802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCCCCCCC[N+]1=CSC=C1)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCCCCCCC[N+]1=CSC=C1)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C35H67N2O4S.CH4O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-36(3)34(38)41-32-35(2,39-4)31-40-29-25-22-19-21-24-27-37-28-30-42-33-37;1-5(2,3)4/h28,30,33H,5-27,29,31-32H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1