3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazol-3-ium-4-one bromide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazol-3-ium-4-one bromide Openeye Name: 3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)thiazol-3-ium-4-one bromide CAS Name: 3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-thiazol-3-iumone bromide IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazol-3-ium-4-one bromide Traditional Name: 3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-2-thiazolin-3-ium-4-one bromide Formula: C18H18BrNO4S MolecularWeight: 424.30882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=[N+](C(=O)CS2)C3=CC(=C(C=C3)OC)OC.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=[N+](C(=O)CS2)C3=CC(=C(C=C3)OC)OC.[Br-]

InChI

InChI=1S/C18H18NO4S.BrH/c1-21-14-7-4-12(5-8-14)18-19(17(20)11-24-18)13-6-9-15(22-2)16(10-13)23-3;/h4-10H,11H2,1-3H3;1H/q+1;/p-1