1-(3,4-dimethoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(1-thiolan-1-iumyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone bromide Formula: C14H19BrO3S MolecularWeight: 347.26786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[S+]2CCCC2)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[S+]2CCCC2)OC.[Br-]

InChI

InChI=1S/C14H19O3S.BrH/c1-16-13-6-5-11(9-14(13)17-2)12(15)10-18-7-3-4-8-18;/h5-6,9H,3-4,7-8,10H2,1-2H3;1H/q+1;/p-1