methyl [1-(octadecylcarbamoyloxy)-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propan-2-yl] carbonate

Systemtic Name: methyl [1-(octadecylcarbamoyloxy)-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propan-2-yl] carbonate Openeye Name: methyl [1-(octadecylcarbamoyloxymethyl)-2-(4-thiazol-3-ium-3-ylbutoxy)ethyl] carbonate CAS Name: carbonic acid methyl [1-[(octadecylamino)-oxomethoxy]-3-[4-(3-thiazol-3-iumyl)butoxy]propan-2-yl] ester IUPAC Name: methyl [1-(octadecylcarbamoyloxy)-3-[4-(1,3-thiazol-3-ium-3-yl)butoxy]propan-2-yl] carbonate Traditional Name: carbonic acid methyl [1-(stearylcarbamoyloxymethyl)-2-(4-thiazol-3-ium-3-ylbutoxy)ethyl] ester Formula: C31H57N2O6S+ MolecularWeight: 585.85908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COCCCC[N+]1=CSC=C1)OC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COCCCC[N+]1=CSC=C1)OC(=O)OC

InChI

InChI=1S/C31H56N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-30(34)38-27-29(39-31(35)36-2)26-37-24-20-19-22-33-23-25-40-28-33/h23,25,28-29H,3-22,24,26-27H2,1-2H3/p+1