2-(6-methoxy-2-methyl-imidazo[2,1-b][1,3]benzothiazol-9-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(6-methoxy-2-methyl-imidazo[2,1-b][1,3]benzothiazol-9-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(6-methoxy-2-methyl-imidazo[2,1-b][1,3]benzothiazol-9-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(6-methoxy-2-methyl-3-imidazo[2,1-b][1,3]benzothiazol-9-iumyl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(6-methoxy-2-methylimidazo[2,1-b][1,3]benzothiazol-9-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(6-methoxy-2-methyl-imidazo[2,1-b][1,3]benzothiazol-9-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C25H21BrN2O2S MolecularWeight: 493.41544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(N1CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC5=C2C=CC(=C5)OC.[Br-]

Isomeric SMILES

CC1=C[N+]2=C(N1CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)SC5=C2C=CC(=C5)OC.[Br-]

InChI

InChI=1S/C25H21N2O2S.BrH/c1-17-15-27-22-13-12-21(29-2)14-24(22)30-25(27)26(17)16-23(28)20-10-8-19(9-11-20)18-6-4-3-5-7-18;/h3-15H,16H2,1-2H3;1H/q+1;/p-1