(2-methoxycarbonyloxy-3-octadecoxy-propyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl carbonate bromide

Systemtic Name: (2-methoxycarbonyloxy-3-octadecoxy-propyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl carbonate bromide Openeye Name: (2-methoxycarbonyloxy-3-octadecoxy-propyl) 2-thiazol-3-ium-3-ylethyl carbonate bromide CAS Name: carbonic acid (2-methoxycarbonyloxy-3-octadecoxypropyl) 2-(3-thiazol-3-iumyl)ethyl ester bromide IUPAC Name: (2-methoxycarbonyloxy-3-octadecoxypropyl) 2-(1,3-thiazol-3-ium-3-yl)ethyl carbonate bromide Traditional Name: carbonic acid (2-carbomethoxyoxy-3-stearyloxy-propyl) 2-thiazol-3-ium-3-ylethyl ester bromide Formula: C29H52BrNO7S MolecularWeight: 638.69468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OCC[N+]1=CSC=C1)OC(=O)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)OCC[N+]1=CSC=C1)OC(=O)OC.[Br-]

InChI

InChI=1S/C29H52NO7S.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-34-24-27(37-28(31)33-2)25-36-29(32)35-22-19-30-20-23-38-26-30;/h20,23,26-27H,3-19,21-22,24-25H2,1-2H3;1H/q+1;/p-1