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

Systemtic Name: (5Z)-5-[(5-bromanyl-2-methoxy-phenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(5-bromo-2-methoxy-phenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5Z)-5-[(5-bromo-2-methoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5Z)-5-(5-bromo-2-methoxy-benzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C16H19BrN3O2S+ MolecularWeight: 397.30996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2S/c1-19-5-7-20(8-6-19)16-18-15(21)14(23-16)10-11-9-12(17)3-4-13(11)22-2/h3-4,9-10H,5-8H2,1-2H3/p+1/b14-10-