1-[3-[5-(2-dodecoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]propyl]-5-methyl-pyrimidine-2,4-dione bromide

Systemtic Name: 1-[3-[5-(2-dodecoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]propyl]-5-methyl-pyrimidine-2,4-dione bromide Openeye Name: 1-[3-[5-(2-dodecoxyethyl)-4-methyl-thiazol-3-ium-3-yl]propyl]-5-methyl-pyrimidine-2,4-dione bromide CAS Name: 1-[3-[5-(2-dodecoxyethyl)-4-methyl-3-thiazol-3-iumyl]propyl]-5-methylpyrimidine-2,4-dione bromide IUPAC Name: 1-[3-[5-(2-dodecoxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]propyl]-5-methylpyrimidine-2,4-dione bromide Traditional Name: 1-[3-[5-(2-lauryloxyethyl)-4-methyl-thiazol-3-ium-3-yl]propyl]-5-methyl-pyrimidine-2,4-quinone bromide Formula: C26H44BrN3O3S MolecularWeight: 558.61486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCC1=C([N+](=CS1)CCCN2C=C(C(=O)NC2=O)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOCCC1=C([N+](=CS1)CCCN2C=C(C(=O)NC2=O)C)C.[Br-]

InChI

InChI=1S/C26H43N3O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-32-19-15-24-23(3)29(21-33-24)17-14-16-28-20-22(2)25(30)27-26(28)31;/h20-21H,4-19H2,1-3H3;1H