1-(2,6-dimethylmorpholin-4-yl)-2-(4,5-dipentyl-1,3-thiazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-(2,6-dimethylmorpholin-4-yl)-2-(4,5-dipentyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(2,6-dimethylmorpholin-4-yl)-2-(4,5-dipentylthiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(2,6-dimethyl-4-morpholinyl)-2-(4,5-dipentyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(2,6-dimethylmorpholin-4-yl)-2-(4,5-dipentyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 2-(4,5-diamylthiazol-3-ium-3-yl)-1-(2,6-dimethylmorpholino)ethanone bromide Formula: C21H37BrN2O2S MolecularWeight: 461.49968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(SC=[N+]1CC(=O)N2CC(OC(C2)C)C)CCCCC.[Br-]

Isomeric SMILES

CCCCCC1=C(SC=[N+]1CC(=O)N2CC(OC(C2)C)C)CCCCC.[Br-]

InChI

InChI=1S/C21H37N2O2S.BrH/c1-5-7-9-11-19-20(12-10-8-6-2)26-16-23(19)15-21(24)22-13-17(3)25-18(4)14-22;/h16-18H,5-15H2,1-4H3;1H/q+1;/p-1