1-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(2,5-dimethoxyphenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)ethanone bromide Formula: C17H20BrNO3S MolecularWeight: 398.3146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)C[N+]2=CSC3=C2CCCC3.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)C[N+]2=CSC3=C2CCCC3.[Br-]

InChI

InChI=1S/C17H20NO3S.BrH/c1-20-12-7-8-16(21-2)13(9-12)15(19)10-18-11-22-17-6-4-3-5-14(17)18;/h7-9,11H,3-6,10H2,1-2H3;1H/q+1;/p-1