2-(4,5-dioctadecyl-1,3-thiazol-3-ium-3-yl)-1-morpholin-4-yl-ethanone bromide

Systemtic Name: 2-(4,5-dioctadecyl-1,3-thiazol-3-ium-3-yl)-1-morpholin-4-yl-ethanone bromide Openeye Name: 2-(4,5-dioctadecylthiazol-3-ium-3-yl)-1-morpholino-ethanone bromide CAS Name: 2-(4,5-dioctadecyl-3-thiazol-3-iumyl)-1-(4-morpholinyl)ethanone bromide IUPAC Name: 2-(4,5-dioctadecyl-1,3-thiazol-3-ium-3-yl)-1-morpholin-4-ylethanone bromide Traditional Name: 2-(4,5-distearylthiazol-3-ium-3-yl)-1-morpholino-ethanone bromide Formula: C45H85BrN2O2S MolecularWeight: 798.1376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(SC=[N+]1CC(=O)N2CCOCC2)CCCCCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(SC=[N+]1CC(=O)N2CCOCC2)CCCCCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C45H85N2O2S.BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-44(50-42-47(43)41-45(48)46-37-39-49-40-38-46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h42H,3-41H2,1-2H3;1H/q+1;/p-1