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

Systemtic Name: (5Z)-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Openeye Name: (5Z)-5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-one CAS Name: (5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolone IUPAC Name: (5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one Traditional Name: (5Z)-5-(3-hydroxy-4-methoxy-benzylidene)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiazolin-4-one Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-18-5-7-19(8-6-18)16-17-15(21)14(23-16)10-11-3-4-13(22-2)12(20)9-11/h3-4,9-10,20H,5-8H2,1-2H3/p+1/b14-10-