2-(3,4-dimethoxyphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium bromide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium bromide Openeye Name: 2-(3,4-dimethoxyphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium bromide CAS Name: 2-(3,4-dimethoxyphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium bromide IUPAC Name: 2-(3,4-dimethoxyphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium bromide Traditional Name: 2-(3,4-dimethoxyphenyl)-3H-imidazo[2,1-b][1,3]benzothiazol-9-ium bromide Formula: C17H15BrN2O2S MolecularWeight: 391.2822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C[N+]3=C(N2)SC4=CC=CC=C43)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C[N+]3=C(N2)SC4=CC=CC=C43)OC.[Br-]

InChI

InChI=1S/C17H14N2O2S.BrH/c1-20-14-8-7-11(9-15(14)21-2)12-10-19-13-5-3-4-6-16(13)22-17(19)18-12;/h3-10H,1-2H3;1H