[2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-(1,3-thiazol-3-ium-3-yl)ethyl carbonate

Systemtic Name: [2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-(1,3-thiazol-3-ium-3-yl)ethyl carbonate Openeye Name: [2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-thiazol-3-ium-3-ylethyl carbonate CAS Name: carbonic acid [2-(methylcarbamoyloxy)-3-octadecoxypropyl] 2-(3-thiazol-3-iumyl)ethyl ester IUPAC Name: [2-(methylcarbamoyloxy)-3-octadecoxypropyl] 2-(1,3-thiazol-3-ium-3-yl)ethyl carbonate Traditional Name: carbonic acid [2-(methylcarbamoyloxy)-3-stearyloxy-propyl] 2-thiazol-3-ium-3-ylethyl ester Formula: C29H53N2O6S+ MolecularWeight: 557.80592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OCC[N+]1=CSC=C1)OC(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OCC[N+]1=CSC=C1)OC(=O)NC

InChI

InChI=1S/C29H52N2O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-24-27(37-28(32)30-2)25-36-29(33)35-22-19-31-20-23-38-26-31/h20,23,26-27H,3-19,21-22,24-25H2,1-2H3/p+1