(5Z)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one

Systemtic Name: (5Z)-5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5Z)-5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C16H19BrN3O3S+ MolecularWeight: 413.30936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=O)C(=CC3=CC(=C(C(=C3)Br)O)OC)S2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=O)/C(=C/C3=CC(=C(C(=C3)Br)O)OC)/S2

InChI

InChI=1S/C16H18BrN3O3S/c1-19-3-5-20(6-4-19)16-18-15(22)13(24-16)9-10-7-11(17)14(21)12(8-10)23-2/h7-9,21H,3-6H2,1-2H3/p+1/b13-9-