2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2,4-bis(chloranyl)benzoate bromide

Systemtic Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2,4-bis(chloranyl)benzoate bromide Openeye Name: 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl 2,4-dichlorobenzoate bromide CAS Name: 2,4-dichlorobenzoic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester bromide IUPAC Name: 2-(4-methyl-3-phenacyl-1,3-thiazol-3-ium-5-yl)ethyl 2,4-dichlorobenzoate bromide Traditional Name: 2,4-dichlorobenzoic acid 2-(4-methyl-3-phenacyl-thiazol-3-ium-5-yl)ethyl ester bromide Formula: C21H18BrCl2NO3S MolecularWeight: 515.24752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=C(C=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=C2)CCOC(=O)C3=C(C=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C21H18Cl2NO3S.BrH/c1-14-20(9-10-27-21(26)17-8-7-16(22)11-18(17)23)28-13-24(14)12-19(25)15-5-3-2-4-6-15;/h2-8,11,13H,9-10,12H2,1H3;1H/q+1;/p-1