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

Systemtic Name: [2-methyl-2-methylsulfanyl-3-[7-(1,3-thiazol-3-ium-3-yl)heptoxy]propyl] N-methyl-N-octadecyl-carbamate Openeye Name: [2-methyl-2-methylsulfanyl-3-(7-thiazol-3-ium-3-ylheptoxy)propyl] N-methyl-N-octadecyl-carbamate CAS Name: N-methyl-N-octadecylcarbamic acid [2-methyl-2-(methylthio)-3-[7-(3-thiazol-3-iumyl)heptoxy]propyl] ester IUPAC Name: [2-methyl-2-methylsulfanyl-3-[7-(1,3-thiazol-3-ium-3-yl)heptoxy]propyl] N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid [2-methyl-2-(methylthio)-3-(7-thiazol-3-ium-3-ylheptoxy)propyl] ester Formula: C35H67N2O3S2+ MolecularWeight: 628.04808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCCCCCCC[N+]1=CSC=C1)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCC(C)(COCCCCCCC[N+]1=CSC=C1)SC

InChI

InChI=1S/C35H67N2O3S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-36(3)34(38)40-32-35(2,41-4)31-39-29-25-22-19-21-24-27-37-28-30-42-33-37/h28,30,33H,5-27,29,31-32H2,1-4H3/q+1